SCHEMBL7127376

SCHEMBL7127376

COc1ccc2c(c1)CC(C)[C@H]1C3=CC=C(OC(C)=O)[C@@]3(C)CC[C@H]21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.43
LMNA P02545 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PGR P06401 2/20 0.40
SLC6A3 Q01959 2/20 0.40
OPRM1 P35372 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
AR P10275 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
ADRA1A P35348 1/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 2/20 0.39
CYP3A4 P08684 2/20 0.39
TP53 P04637 1/20 0.39
HSD17B1 P14061 2/20 0.39
RECQL P46063 2/20 0.39
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 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
SCHEMBL3877022 0.85 HSD17B1 (0.39) ESR1LMNASMN1; SMN2PGRSLC6A3
SCHEMBL14568941 0.84 AKR1C3 (0.35) ESR1OPRM1MAPTHSD11B1MTNR1A
SCHEMBL6867122 0.84 ESR1 (0.39) ESR1LMNASMN1; SMN2PGRSLC6A3
SCHEMBL6467351 0.83 ESR1 (0.52) ESR1LMNASMN1; SMN2PGRSLC6A3
SCHEMBL9725122 0.83 ESR1 (0.52) ESR1LMNASMN1; SMN2PGRSLC6A3
SCHEMBL7026300 0.78 ESR1 (0.41) ESR1LMNASMN1; SMN2PGRSLC6A3
SCHEMBL9626575 0.78 ESR1 (0.41) ESR1LMNASMN1; SMN2PGRSLC6A3
SCHEMBL9190270 0.78 ESR1 (0.54) ESR1LMNASMN1; SMN2PGRSLC6A3
SCHEMBL3873197 0.76 LMNA (0.47) ESR1LMNASMN1; SMN2PGRSLC6A3
SCHEMBL3872126 0.73 HSD17B1 (0.38) ESR1LMNASMN1; SMN2PGRSLC6A3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003053993-A1 ANDROGENIC 14.ALPHA, 17.ALPHA-ETHENOSTEROIDS AKZO NOBEL N.V. (NL) 2003-07-03 WO disclosed