SCHEMBL10349596

SCHEMBL10349596

CCC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@H](OC(=O)CC)C[C@@H]12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.68
KMT2A Q03164 3/20 0.68
MEN1 O00255 2/20 0.68
THRB P10828 1/20 0.68
HSD17B1 P14061 5/20 0.55
CYP3A4 P08684 3/20 0.54
TP53 P04637 2/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
ESR1 P03372 4/20 0.51
LMNA P02545 3/20 0.51
ADORA3 P0DMS8 2/20 0.51
ATM Q13315 2/20 0.51
PGR P06401 1/20 0.51
AR P10275 1/20 0.51
CHRM1 P11229 1/20 0.51
TBXA2R P21731 1/20 0.51

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
SCHEMBL10349471 0.91 MAPT (0.56) MAPTKMT2AMEN1THRBHSD17B1
SCHEMBL10349790 0.89 MAPT (0.56) MAPTKMT2AMEN1THRBHSD17B1
SCHEMBL10349242 0.89 MAPT (0.54) MAPTKMT2AMEN1THRBHSD17B1
SCHEMBL10349424 0.88 MAPT (0.53) MAPTKMT2AMEN1THRBHSD17B1
SCHEMBL351005 0.86 SMN1; SMN2 (0.67) MAPTKMT2AMEN1THRBHSD17B1
SCHEMBL351004 0.86 SMN1; SMN2 (0.67) MAPTKMT2AMEN1THRBHSD17B1
SCHEMBL11209381 0.86 SMN1; SMN2 (0.67) MAPTKMT2AMEN1THRBHSD17B1
SCHEMBL7992527 0.84 CYP3A4 (0.72) MAPTKMT2AMEN1THRBHSD17B1
SCHEMBL11212923 0.82 ESR1 (0.67) MAPTKMT2AMEN1HSD17B1CYP3A4
SCHEMBL10349423 0.81 MAPT (0.74) MAPTKMT2AMEN1THRBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0196268-B1 ESTRIOL ESTERS SCHERING AKTIENGESELLSCHAFT (DE) 1990-06-27 EP disclosed
US-4738957-A ESTROGEN THERAPY SCHERING AKTIENGESELLSCHAFT (DE) 1988-04-19 US disclosed
EP-0196268-A2 Estriol esters SCHERING AKTIENGESELLSCHAFT (DE) 1986-10-01 EP disclosed