SCHEMBL2838358

SCHEMBL2838358

CC(=O)Oc1ccc2c(c1)C(=O)CC1C2CC[C@]2(C)C=CCC12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.47
ESR1 P03372 4/20 0.46
LMNA P02545 3/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
ADORA3 P0DMS8 2/20 0.45
ATM Q13315 2/20 0.45
PGR P06401 1/20 0.45
AR P10275 1/20 0.45
CHRM1 P11229 1/20 0.45
TBXA2R P21731 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRM1 P35372 1/20 0.45
SLC6A3 Q01959 1/20 0.45
MAPT P10636 3/20 0.43
CYP3A4 P08684 2/20 0.43
TP53 P04637 1/20 0.43
STS P08842 1/20 0.38
KDM4E B2RXH2 1/20 0.37
AKR1C3 P42330 1/20 0.36

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
SCHEMBL7704863 1.00 HSD17B1 (0.47) HSD17B1ESR1LMNAMAPK1SMN1; SMN2
SCHEMBL1249511 0.84 HSD17B1 (0.65) HSD17B1ESR1LMNAMAPK1PGR
SCHEMBL1981989 0.82 HSD17B1 (0.71) HSD17B1ESR1LMNASMN1; SMN2ADORA3
SCHEMBL1246985 0.82 LMNA (0.67) HSD17B1ESR1LMNAMAPK1SMN1; SMN2
SCHEMBL4284331 0.82 LMNA (0.67) HSD17B1ESR1LMNAMAPK1SMN1; SMN2
SCHEMBL12379608 0.82 HSD17B1 (0.71) HSD17B1ESR1LMNASMN1; SMN2ADORA3
SCHEMBL7707677 0.81 ESR1 (0.48) ESR1LMNAMAPK1SMN1; SMN2ADORA3
SCHEMBL6899294 0.81 ESR1 (0.48) ESR1LMNAMAPK1SMN1; SMN2ADORA3
SCHEMBL14094306 0.81 LMNA (0.72) HSD17B1ESR1LMNAMAPK1SMN1; SMN2
SCHEMBL2838564 0.81 HSD17B1 (0.58) HSD17B1ESR1LMNAMAPK1SMN1; SMN2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100111896-A1 Items Containing A Human Pheromone Component MARENBERG BARRY J 2010-05-06 US disclosed
WO-2007062023-A2 ITEMS CONTAINING A HUMAN PHEROMONE COMPONENT BRAGINSKY PHILIP Y (US) 2007-05-31 WO disclosed
EP-0891188-A4 STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN BLOOD LEVELS OF LH OR FSH PHERIN PHARM INC (US) 2004-09-01 EP disclosed
US-6352980-B1 ADMINISTERING BY SPRAYING IN NOSE PHERIN PHARMACEUTICALS, INC. 2002-03-05 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-6066627-A ALTERING BLOOD CONCNETRATION OF LUTEINIZING HORMONE PHERIN CORPORATION (US) 2000-05-23 US disclosed
US-6057439-A EPOXYSTEROIDS PHERIN CORPORATION (US) 2000-05-02 US disclosed
EP-0783513-A4 NOVEL ESTRENES FOR INDUCING HYPOTHALAMIC EFFECTS PHERIN CORP (US) 2000-03-08 EP disclosed
US-5994568-A BIND TO NEUROEPITHELIAL RECEPTORS. PHERIN CORPORATION (US) 1999-11-30 US disclosed
US-5939570-A Estrenes for inducing hypothalamic effects PHERIN CORPORATION (US) 1999-08-17 US disclosed
US-5925774-A ESTRENE STEROIDS WHICH BIND TO NEUROEPITHELIAL RECEPTORS PHERIN CORPORATION (US) 1999-07-20 US disclosed
EP-0924219-A2 Novel estrenes for inducing hypothalamic effects PHERIN CORPORATION (US) 1999-06-23 EP disclosed
EP-0891188-A1 STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN BLOOD LEVELS OF LH OR FSH Pherin Pharmaceuticals, Inc. (US) 1999-01-20 EP disclosed
US-5783571-A SUBSTITUTED TETRAENE STEROIDS FOR CONTROLLING GLANDULAR FUNCTION PHERIN CORPORATION (US) 1998-07-21 US disclosed
WO-1997036596-A9 STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN BLOOD LEVELS OF LH OR FSH 1997-12-04 WO disclosed
WO-1997036596-A1 STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN BLOOD LEVELS OF LH OR FSH PHERIN PHARMACEUTICALS, INC. (US) 1997-10-09 WO disclosed
EP-0783513-A1 NOVEL ESTRENES FOR INDUCING HYPOTHALAMIC EFFECTS PHERIN CORPORATION (US) 1997-07-16 EP disclosed
US-5633392-A STIMULANTS FOR AUTONOMIC NERVOUS SYSTEM; NOSE SPRAYING PHERIN CORPORATION (US) 1997-05-27 US disclosed
WO-1996010032-A1 NOVEL ESTRENES FOR INDUCING HYPOTHALAMIC EFFECTS PHERIN CORPORATION (US) 1996-04-04 WO disclosed