SCHEMBL6172260

SCHEMBL6172260

COc1cc(C(=O)c2c(-c3ccc(OCCN(C)C(N)=O)cc3)sc3cc(OCc4ccccc4)ccc23)ccc1CN1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 0.45
ESR2 Q92731 15/20 0.45
F2 P00734 2/20 0.43
STS P08842 2/20 0.42
ENPP1 P22413 1/20 0.42

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
SCHEMBL6171544 0.91 F2 (0.53) ESR1ESR2F2
SCHEMBL6172249 0.91 ESR1 (0.50) ESR1ESR2F2
SCHEMBL6596715 0.88 ESR1 (0.60) ESR1ESR2F2
SCHEMBL7774110 0.86 ESR1 (0.48) ESR1ESR2F2
SCHEMBL6172265 0.86 ESR1 (0.45) ESR1ESR2F2
SCHEMBL6598702 0.84 ESR1 (0.58) ESR1ESR2F2
SCHEMBL6171651 0.84 EGFR (0.42) ESR1ESR2
SCHEMBL6599474 0.84 ESR1 (0.55) ESR1ESR2F2
SCHEMBL6592408 0.83 ESR1 (0.65) ESR1ESR2F2
SCHEMBL7772140 0.83 F2 (0.59) ESR1ESR2F2

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-1027051-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-01-05 EP disclosed
US-6391901-B1 Thrombin inhibitors ELI LILLY AND COMPANY 2002-05-21 US disclosed