SCHEMBL8519476

SCHEMBL8519476

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.67
ESR1 P03372 4/20 0.67
LMNA P02545 3/20 0.67
ADORA3 P0DMS8 2/20 0.67
ATM Q13315 2/20 0.67
PGR P06401 1/20 0.67
AR P10275 1/20 0.67
CHRM1 P11229 1/20 0.67
TBXA2R P21731 1/20 0.67
ADRA1A P35348 1/20 0.67
OPRM1 P35372 1/20 0.67
SLC6A3 Q01959 1/20 0.67
CYP3A4 P08684 3/20 0.62
MAPT P10636 2/20 0.62
TP53 P04637 1/20 0.62
STS P08842 3/20 0.55
ABCC4 O15439 2/20 0.55
ABCC1 P33527 2/20 0.55
CYP2C9 P11712 1/20 0.55
SLCO1B1 Q9Y6L6 1/20 0.55

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
SCHEMBL11481676 1.00 SMN1; SMN2 (0.67) SMN1; SMN2ESR1LMNAADORA3ATM
SCHEMBL9711179 0.89 ESR1 (0.62) SMN1; SMN2ESR1LMNAADORA3ATM
SCHEMBL9558249 0.88 LMNA (0.69) SMN1; SMN2ESR1LMNAPGRSLC6A3
SCHEMBL14652461 0.88 LMNA (0.69) SMN1; SMN2ESR1LMNAPGRSLC6A3
SCHEMBL11209381 0.87 SMN1; SMN2 (0.67) SMN1; SMN2ESR1LMNAADORA3ATM
SCHEMBL351005 0.87 SMN1; SMN2 (0.67) SMN1; SMN2ESR1LMNAADORA3ATM
SCHEMBL351004 0.87 SMN1; SMN2 (0.67) SMN1; SMN2ESR1LMNAADORA3ATM
SCHEMBL4969105 0.84 HSD17B1 (0.71) SMN1; SMN2ESR1LMNAPGRAR
SCHEMBL5168726 0.84 STS (0.71) ESR1STSABCC4ABCC1CYP2C9
Estrone Acetate SCHEMBL20006536 0.83 CYP3A4 (0.76) SMN1; SMN2ESR1LMNAADORA3ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915905-A1 PROCESS FOR PREPARING 16$g(a)-HYDROXY-ESTRA-1,3,5(10)-TRIENE DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1999-05-19 EP disclosed
EP-0514187-B1 Electrolytic cell and process for the labeling of proteins and peptides DOW CHEMICAL CO (US) 1998-09-23 EP disclosed
WO-1998004577-A1 PROCESS FOR PREPARING 16α-HYDROXY-ESTRA-1,3,5(10)-TRIENE DERIVATIVES SCHERING AG (DE) 1998-02-05 WO disclosed
US-5246561-A ELECTROLYTIC CELL AND PROCESS FOR THE LABELING OF PROTEINS AND PEPTIDES THE DOW CHEMICAL COMPANY (US) 1993-09-21 US disclosed
US-5230783-A With radioactive materials THE DOW CHEMICAL COMPANY (US) 1993-07-27 US disclosed
WO-1992021019-A1 ELECTROLYTIC CELL AND PROCESS FOR THE LABELING OF PROTEINS AND PEPTIDES THE DOW CHEMICAL COMPANY (US) 1992-11-26 WO disclosed
EP-0514187-A1 Electrolytic cell and process for the labeling of proteins and peptides THE DOW CHEMICAL COMPANY (US) 1992-11-19 EP disclosed