SCHEMBL8103468

SCHEMBL8103468

COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C13C=C(CO)[C@@]2(C1(C)OCCO1)CC3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
HSD17B10 Q99714 2/20 0.45
HSD17B1 P14061 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
RECQL P46063 1/20 0.43
ESR1 P03372 7/20 0.41
PGR P06401 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 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
ESR2 Q92731 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
AR P10275 1/20 0.37

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
SCHEMBL8043790 0.89 ESR1 (0.44) LMNAHSD17B10HSD17B1SMN1; SMN2MAPT
SCHEMBL8096546 0.84 LMNA (0.44) LMNAHSD17B10HSD17B1SMN1; SMN2MAPT
SCHEMBL8043801 0.83 LMNA (0.43) LMNAHSD17B10HSD17B1SMN1; SMN2MAPT
SCHEMBL8059625 0.78 LMNA (0.48) LMNAHSD17B10HSD17B1SMN1; SMN2MAPT
SCHEMBL8061512 0.77 LMNA (0.47) LMNAHSD17B10HSD17B1SMN1; SMN2MAPT
SCHEMBL8056867 0.77 LMNA (0.43) LMNAHSD17B10HSD17B1SMN1; SMN2MAPT
SCHEMBL10645130 0.75 LMNA (0.50) LMNAHSD17B10HSD17B1SMN1; SMN2MAPT
SCHEMBL8059415 0.74 LMNA (0.43) LMNAHSD17B10HSD17B1SMN1; SMN2MAPT
SCHEMBL8056205 0.73 LMNA (0.44) LMNAHSD17B10HSD17B1SMN1; SMN2MAPT
SCHEMBL9628599 0.72 LMNA (0.52) LMNAHSD17B10HSD17B1SMN1; SMN2MAPT

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
US-6147065-A 14-α, 17-α-C2 bridged norprogesterone derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2000-11-14 US disclosed
US-5973172-A 14-α,17-α-C2 -bridged norprogesterone derivatives SCHERING AKITENGESELLSCHAFT (DE) 1999-10-26 US disclosed