SCHEMBL7413627

SCHEMBL7413627

COc1cc(C(=O)c2c(-c3ccc(OCCO[Si](C)(C)C(C)(C)C)cc3)sc3cc(OCc4ccccc4)ccc23)ccc1CN1CCCC1=O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 19/20 0.44
ESR2 Q92731 19/20 0.44
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40

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
SCHEMBL7417917 0.90 ESR1 (0.51) ESR1ESR2
SCHEMBL7536757 0.88 ESR1 (0.59) ESR1ESR2
SCHEMBL7774583 0.85 CYP19A1 (0.43) ESR1ESR2
SCHEMBL7768251 0.80 ESR1 (0.51) ESR1ESR2
SCHEMBL6598702 0.80 ESR1 (0.58) ESR1ESR2
SCHEMBL6592408 0.79 ESR1 (0.65) ESR1ESR2
SCHEMBL6172249 0.78 ESR1 (0.50) ESR1ESR2
SCHEMBL6171170 0.78 ESR1 (0.59) ESR1ESR2
SCHEMBL6596715 0.77 ESR1 (0.60) ESR1ESR2
SCHEMBL6171544 0.77 F2 (0.53) ESR1ESR2

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
US-6350774-B1 Antithrombotic agents ELI LILLY AND COMPANY 2002-02-26 US disclosed