SCHEMBL9628599

SCHEMBL9628599

COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@]3(O)C=C[C@]12CC3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
HSD17B1 P14061 2/20 0.52
MAPT P10636 1/20 0.52
RECQL P46063 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.51
ESR1 P03372 5/20 0.50
NR3C1 P04150 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
HIF1A Q16665 1/20 0.50
PGR P06401 1/20 0.50
CNR1 P21554 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
STS P08842 6/20 0.42
ABCC4 O15439 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL8217658 0.87 STS (0.46) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8217657 0.87 STS (0.46) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8213068 0.87 STS (0.56) ESR1STSESR2
SCHEMBL6867283 0.87 STS (0.56) ESR1STSESR2
SCHEMBL9148557 0.86 ESR1 (0.50) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL9725114 0.86 ESR1 (0.50) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL15979563 0.85 LMNA (0.52) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6364938 0.85 STS (0.44) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6364943 0.85 STS (0.44) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8055169 0.83 LMNA (0.51) LMNAHSD17B1MAPTRECQLSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4789671-A ESTROGENIC ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 1988-12-06 US claimed
EP-0318490-B1 14,17-G(B)-ETHANO-14-G(B)-ESTRATRIENES, PROCESS FOR THEIR MANUFACTURE AND PHARMACEUTICAL PREPARATIONS CONTAINING THESE SCHERING AKTIENGESELLSCHAFT (DE) 1992-01-29 EP disclosed
US-4789671-A ESTROGENIC ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 1988-12-06 US disclosed