SCHEMBL8059415

SCHEMBL8059415

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
HSD17B1 P14061 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ESR1 P03372 6/20 0.41
PGR P06401 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
NR3C1 P04150 1/20 0.41
CNR1 P21554 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
STS P08842 4/20 0.36
ESR2 Q92731 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL8056205 0.92 LMNA (0.44) LMNAHSD17B1SMN1; SMN2MAPTRECQL
SCHEMBL8056803 0.91 LMNA (0.43) LMNAHSD17B1SMN1; SMN2MAPTRECQL
SCHEMBL8056862 0.89 LMNA (0.42) LMNAHSD17B1SMN1; SMN2MAPTRECQL
SCHEMBL8056177 0.87 LMNA (0.46) LMNAHSD17B1SMN1; SMN2MAPTRECQL
SCHEMBL8043796 0.84 LMNA (0.46) LMNAHSD17B1SMN1; SMN2MAPTRECQL
SCHEMBL8061464 0.84 LMNA (0.43) LMNAHSD17B1SMN1; SMN2MAPTRECQL
SCHEMBL8959396 0.81 ESR1 (0.48) LMNAHSD17B1SMN1; SMN2MAPTRECQL
SCHEMBL8959357 0.81 ESR1 (0.48) LMNAHSD17B1SMN1; SMN2MAPTRECQL
SCHEMBL8056867 0.80 LMNA (0.43) LMNAHSD17B1SMN1; SMN2MAPTRECQL
SCHEMBL8061512 0.77 LMNA (0.47) LMNAHSD17B1SMN1; SMN2MAPTRECQL

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