SCHEMBL7704863

SCHEMBL7704863

CC(=O)Oc1ccc2c(c1)C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)C=CC[C@@H]12

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
SCHEMBL2838358 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 6 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 claimed
EP-0783513-A4 NOVEL ESTRENES FOR INDUCING HYPOTHALAMIC EFFECTS PHERIN CORP (US) 2000-03-08 EP claimed
US-5939570-A Estrenes for inducing hypothalamic effects PHERIN CORPORATION (US) 1999-08-17 US claimed
EP-0924219-A2 Novel estrenes for inducing hypothalamic effects PHERIN CORPORATION (US) 1999-06-23 EP claimed
EP-0783513-A1 NOVEL ESTRENES FOR INDUCING HYPOTHALAMIC EFFECTS PHERIN CORPORATION (US) 1997-07-16 EP claimed
WO-1996010032-A1 NOVEL ESTRENES FOR INDUCING HYPOTHALAMIC EFFECTS PHERIN CORPORATION (US) 1996-04-04 WO claimed