SCHEMBL10360650

SCHEMBL10360650

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
KMT2A Q03164 4/20 0.60
MEN1 O00255 2/20 0.60
THRB P10828 1/20 0.60
ESR1 P03372 7/20 0.55
LMNA P02545 6/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
ATM Q13315 4/20 0.55
PGR P06401 3/20 0.55
AR P10275 3/20 0.55
ADORA3 P0DMS8 3/20 0.55
CHRM1 P11229 2/20 0.55
TBXA2R P21731 2/20 0.55
SLC6A3 Q01959 2/20 0.55
ADRA1A P35348 1/20 0.55
OPRM1 P35372 1/20 0.55
TP53 P04637 2/20 0.54
CYP3A4 P08684 2/20 0.54
USP2 O75604 2/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL10361012 0.95 LMNA (0.60) MAPTKMT2AMEN1THRBESR1
SCHEMBL4254922 0.94 MAPT (0.58) MAPTKMT2AMEN1THRBESR1
SCHEMBL6547189 0.94 MAPT (0.58) MAPTKMT2AMEN1THRBESR1
SCHEMBL10710638 0.93 MAPT (0.57) MAPTKMT2AMEN1THRBESR1
SCHEMBL32662774 0.91 MAPT (0.73) MAPTKMT2AMEN1THRBESR1
SCHEMBL6331808 0.91 MAPT (0.73) MAPTKMT2AMEN1THRBESR1
SCHEMBL10349238 0.89 MAPT (0.61) MAPTKMT2AMEN1THRBESR1
SCHEMBL4585647 0.86 MAPT (0.62) MAPTKMT2AMEN1THRBESR1
SCHEMBL4585643 0.85 LMNA (0.73) MAPTKMT2AMEN1ESR1LMNA
SCHEMBL10361011 0.85 MAPT (0.53) MAPTKMT2AMEN1THRBESR1

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-0163596-B1 ESTRIOL ESTERS SCHERING AKTIENGESELLSCHAFT (DE) 1990-08-16 EP claimed
US-4681875-A CONTRACEPTIVES, GYNECOLOGY SCHERING AKTIENGESELLSCHAFT (DE) 1987-07-21 US claimed
US-4681875-A CONTRACEPTIVES, GYNECOLOGY SCHERING AKTIENGESELLSCHAFT (DE) 1987-07-21 US disclosed