SCHEMBL7796339

SCHEMBL7796339

CC(=O)OCCCCC[C@@H]1CC2=CC(=O)C(OC(C)=O)C[C@@H]2[C@H]2CC[C@]3(C)C(=O)CC[C@H]3[C@H]12

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 19/20 0.48
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL8083275 0.92 CYP19A1 (0.49) CYP19A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL8083240 0.91 CYP19A1 (0.49) CYP19A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL9626851 0.85 CYP19A1 (0.49) CYP19A1
SCHEMBL7030182 0.85 CYP19A1 (0.49) CYP19A1
SCHEMBL6853055 0.82 CYP19A1 (0.51) CYP19A1
SCHEMBL3660113 0.76 CYP19A1 (0.58) CYP19A1
SCHEMBL6904362 0.74 LMNA (0.53) CYP19A1CYP3A4CYP2C9CYP2C19
SCHEMBL7028398 0.74 LMNA (0.53) CYP19A1CYP3A4CYP2C9CYP2C19
SCHEMBL8892914 0.74 LMNA (0.53) CYP19A1CYP3A4CYP2C9CYP2C19
SCHEMBL7702632 0.74 CYP19A1 (0.36) CYP19A1

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
EP-0906332-B1 7ALPHA-(5-METHYLAMINOPENTYL)-ESTRATRIENES, PROCESS FOR THE PREPARATION THEREOF, PHARMACEUTICAL PREPARATIONS WHICH CONTAIN SAID 7ALPHA-(5-METHYLAMINOPENTYL)-ESTRATRIENES AND USE THEREOF FOR PRODUCTION OF DRUGS SCHERING AG (DE) 2001-11-28 EP disclosed
US-6288051-B1 ESTROGEN-DEPENDENT BREAST CANCER TREATMENT SCHERING AKTIENGESELLSCHAFT (DE) 2001-09-11 US disclosed