SCHEMBL8043796

SCHEMBL8043796

COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C13CC[C@]2(C1(C)OCCO1)[C@H](C=O)C3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.46
HSD17B1 P14061 2/20 0.46
MAPT P10636 2/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ESR1 P03372 4/20 0.41
HSD17B10 Q99714 1/20 0.41
STS P08842 4/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
CNR1 P21554 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SRD5A1 P18405 2/20 0.36
MTOR P42345 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
SCHEMBL8061464 0.91 LMNA (0.43) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8056177 0.87 LMNA (0.46) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8056205 0.85 LMNA (0.44) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8056803 0.84 LMNA (0.43) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8059415 0.84 LMNA (0.43) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8056862 0.84 LMNA (0.42) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8959340 0.81 ESR1 (0.47) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8061512 0.77 LMNA (0.47) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8056157 0.74 LMNA (0.50) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8772107 0.74 LMNA (0.50) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6147065-A 14-α, 17-α-C2 bridged norprogesterone derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2000-11-14 US disclosed
EP-0799238-B1 14ALPHA,17ALPHA-C2-BRIDGED 19-NOR-PROGESTERONE DERIVATIVES SCHERING AG (DE) 2000-05-24 EP disclosed
US-5973172-A 14-α,17-α-C2 -bridged norprogesterone derivatives SCHERING AKITENGESELLSCHAFT (DE) 1999-10-26 US disclosed
EP-0799238-A2 14ALPHA,17ALPHA-C2-BRIDGED 19-NOR-PROGESTERONE DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-08 EP disclosed
WO-1996020209-A2 14α,17α-C2-BRIDGED 19-NOR-PROGESTERONE DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1996-07-04 WO disclosed