SCHEMBL5158101

SCHEMBL5158101

CCCC[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.70
LMNA P02545 6/20 0.70
ESR2 Q92731 5/20 0.70
KMT2A Q03164 5/20 0.70
MAPT P10636 4/20 0.70
MEN1 O00255 4/20 0.70
CYP3A4 P08684 4/20 0.70
STS P08842 4/20 0.70
HSD17B10 Q99714 3/20 0.70
PGR P06401 3/20 0.70
AR P10275 3/20 0.70
TSHR P16473 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
CYP2C9 P11712 2/20 0.70
CYP2C19 P33261 2/20 0.70
HIF1A Q16665 2/20 0.70
NR3C1 P04150 2/20 0.70
SHBG P04278 2/20 0.70
SERPINA6 P08185 2/20 0.70
SLC6A4 P31645 2/20 0.70

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11783196 0.97 STS (0.69) ESR1LMNAESR2KMT2AMAPT
SCHEMBL17817385 0.96 STS (0.67) ESR1LMNAESR2KMT2AMAPT
SCHEMBL11780732 0.96 STS (0.67) ESR1LMNAESR2KMT2AMAPT
SCHEMBL11788270 0.96 STS (0.67) ESR1LMNAESR2KMT2AMAPT
SCHEMBL5157957 0.93 ESR1 (0.69) ESR1LMNAESR2KMT2AMAPT
SCHEMBL5158676 0.89 ESR1 (0.72) ESR1LMNAESR2KMT2AMAPT
SCHEMBL13345142 0.89 ESR1 (0.72) ESR1LMNAESR2KMT2AMAPT
SCHEMBL14395341 0.89 ESR1 (0.72) ESR1LMNAESR2KMT2AMAPT
SCHEMBL11239527 0.87 LMNA (0.66) ESR1LMNAESR2KMT2AMAPT
SCHEMBL7612623 0.86 LMNA (0.70) ESR1LMNAKMT2AMAPTMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3946052-A 19-Norpregna- 1,3,5(10)-trien-3-ol and loweralkyl homologs thereof having postcoital antifertility activity STANFORD RESEARCH INSTITUTE (US) 1976-03-23 US claimed
EP-1405860-B1 Estrone sulfamate inhibitors of estrone sulfatase, and associated pharmaceutical compositions and methods of use STANFORD RES INST INT (US) 2007-02-14 EP disclosed
EP-1405860-A1 Estrone sulfamate inhibitors of estrone sulfatase, and associated pharmaceutical compositions and methods of use SRI INTERNATIONAL (US) 2004-04-07 EP disclosed
EP-0914165-A4 STEROIDS AS NEUROCHEMICAL STIMULATORS OF THE VNO TO ALLEVIATE SYMPTOMS OF PMS AND ANXIETY PHERIN PHARM INC (US) 2004-01-21 EP disclosed
US-6437156-B1 ANTIANXIETY; AFFECTS THE FUNCTION OF THE AUTONOMIC NERVOUS SYSTEM AND A VARIETY OF BEHAVIORAL OR PHYSIOLOGICAL ACTIONS; VOMEROPHERINS; PHEROMONES PHERIN CORPORATION 2002-08-20 US disclosed
US-6432938-B1 NASAL ADMINISTERING A STEROID PHERIN CORPORATION 2002-08-13 US disclosed
US-6331534-B1 ADMINISTERING EFFECTIVE AMOUNT OF STEROID WITHIN NASAL PASSAGE OF INDIVIDUAL SUCH THAT IT BINDS SPECIFICALLY TO RECEPTORS ON SURFACE OF NASAL NEUROEPITHELIAL CELLS IN VOMERONASAL ORGAN PHERIN PHARMACEUTICALS, INC. 2001-12-18 US disclosed
US-6117860-A NASALLY ADMINISTERING STEROID WHICH BINDS TO A SPECIFIC NEUROEPITHELIAL RECEPTOR FOR ALLEVIATING PREMENSTRUAL TENSION AND ANXIETY PHERIN PHARMACEUTICALS, INC. (US) 2000-09-12 US disclosed
US-6057439-A EPOXYSTEROIDS PHERIN CORPORATION (US) 2000-05-02 US disclosed
US-6046186-A ANTITUMOR AGENTS, ANTICARCINOGENIC AGENTS SRI INTERNATIONAL (US) 2000-04-04 US disclosed
WO-1999033858-A9 ESTRONE SULFAMATE INHIBITORS OF ESTRONE SULFATASE, AND ASSOCIATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE STANFORD RES INST INT (US) 1999-10-28 WO disclosed
EP-0948521-A1 19-NOR-CHOLANE STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN HYPOTHALAMIC FUNCTION Pherin Pharmaceuticals, Inc. (US) 1999-10-13 EP disclosed
US-5922699-A AFFECTING CERTAIN CONSEQUENT BEHAVIOR AND PHYSIOLOGY, E.G., THE REDUCTION OF ANXIETY PHERIN CORPORATION (US) 1999-07-13 US disclosed
EP-0914165-A1 STEROIDS AS NEUROCHEMICAL STIMULATORS OF THE VNO TO ALLEVIATE SYMPTOMS OF PMS AND ANXIETY Pherin Pharmaceuticals, Inc. (US) 1999-05-12 EP disclosed
WO-1998014194-A9 STEROIDS AS NEUROCHEMICAL STIMULATORS OF THE VNO TO ALLEVIATE SYMPTOMS OF ANXIETY 1998-08-27 WO disclosed
WO-1998003207-A9 STEROIDS AS NEUROCHEMICAL STIMULATORS OF THE VNO TO ALLEVIATE SYMPTOMS OF PMS AND ANXIETY 1998-05-22 WO disclosed
WO-1998014194-A1 STEROIDS AS NEUROCHEMICAL STIMULATORS OF THE VNO TO ALLEVIATE SYMPTOMS OF ANXIETY PHERIN PHARMACEUTICALS (US) 1998-04-09 WO disclosed
WO-1998003207-A1 STEROIDS AS NEUROCHEMICAL STIMULATORS OF THE VNO TO ALLEVIATE SYMPTOMS OF PMS AND ANXIETY PHERIN PHARMACEUTICALS, INC. (US) 1998-01-29 WO disclosed
US-3946052-A 19-Norpregna- 1,3,5(10)-trien-3-ol and loweralkyl homologs thereof having postcoital antifertility activity STANFORD RESEARCH INSTITUTE (US) 1976-03-23 US disclosed