SCHEMBL7701951

SCHEMBL7701951

C=C1CCC2C3CC(=O)c4cc(OC(C)=O)ccc4C3CC[C@]12C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.58
LMNA P02545 4/20 0.48
ESR1 P03372 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
PGR P06401 2/20 0.48
AR P10275 2/20 0.48
OPRM1 P35372 2/20 0.48
SLC6A3 Q01959 2/20 0.48
ADORA3 P0DMS8 1/20 0.48
CHRM1 P11229 1/20 0.48
TBXA2R P21731 1/20 0.48
ADRA1A P35348 1/20 0.48
ATM Q13315 1/20 0.48
MAPK1 P28482 1/20 0.47
CYP3A4 P08684 3/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
AKR1C3 P42330 1/20 0.45
STS P08842 6/20 0.44
RECQL P46063 1/20 0.42

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
SCHEMBL2838564 1.00 HSD17B1 (0.58) HSD17B1LMNAESR1SMN1; SMN2PGR
SCHEMBL1981989 0.91 HSD17B1 (0.71) HSD17B1LMNAESR1SMN1; SMN2PGR
SCHEMBL12379608 0.91 HSD17B1 (0.71) HSD17B1LMNAESR1SMN1; SMN2PGR
SCHEMBL7176305 0.84 HSD17B1 (0.80) HSD17B1LMNAESR1PGRAR
SCHEMBL6899365 0.82 ESR1 (0.69) HSD17B1LMNAESR1SMN1; SMN2PGR
SCHEMBL6899367 0.82 ESR1 (0.69) HSD17B1LMNAESR1SMN1; SMN2PGR
SCHEMBL14094306 0.82 LMNA (0.72) HSD17B1LMNAESR1SMN1; SMN2PGR
SCHEMBL25381426 0.81 HSD17B1 (0.69) HSD17B1LMNAESR1SMN1; SMN2PGR
SCHEMBL11784135 0.81 ESR1 (0.53) HSD17B1LMNAESR1SMN1; SMN2PGR
SCHEMBL25381421 0.81 HSD17B1 (0.69) HSD17B1LMNAESR1SMN1; SMN2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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