SCHEMBL8772104

SCHEMBL8772104

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
HSD17B1 P14061 2/20 0.47
MAPT P10636 1/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.46
ESR1 P03372 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
NR3C1 P04150 1/20 0.46
PGR P06401 1/20 0.46
CNR1 P21554 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
STS P08842 4/20 0.38
KDM4E B2RXH2 3/20 0.38
ABCC4 O15439 1/20 0.38

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
SCHEMBL8056164 1.00 LMNA (0.47) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8056788 0.83 LMNA (0.51) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8772107 0.82 LMNA (0.50) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8056157 0.82 LMNA (0.50) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL9148144 0.79 LMNA (0.55) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8959370 0.79 LMNA (0.55) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8959377 0.79 LMNA (0.55) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL9627672 0.78 LMNA (0.55) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8056177 0.78 LMNA (0.46) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8056155 0.75 LMNA (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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