SCHEMBL7972046

SCHEMBL7972046

COC(=O)CCCOc1ccc(-c2sc3cc(OCc4ccccc4)ccc3c2Cc2ccc(CN3CCCC3)c(OC)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.66
ESR1 P03372 3/20 0.43
ESR2 Q92731 3/20 0.43

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
SCHEMBL7990712 0.91 F2 (0.80) F2ESR1ESR2
SCHEMBL7985805 0.91 F2 (0.66) F2ESR1ESR2
SCHEMBL7989741 0.90 F2 (0.70) F2ESR1ESR2
SCHEMBL6172092 0.88 F2 (0.73) F2ESR1ESR2
SCHEMBL6172241 0.88 F2 (0.66) F2
SCHEMBL6172710 0.87 F2 (0.62) F2ESR1ESR2
SCHEMBL6173777 0.86 F2 (0.67) F2
Oxalic Acid SCHEMBL7985630 0.86 F2 (0.61) F2ESR1ESR2
SCHEMBL7989322 0.86 F2 (0.81) F2ESR1ESR2
SCHEMBL7987881 0.85 F2 (0.67) F2ESR1ESR2

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-6284756-B1 ANTICOAGULANT ELI LILLY AND COMPANY 2001-09-04 US disclosed