SCHEMBL7985805

SCHEMBL7985805

COC(=O)CCCOc1ccc(-c2sc3ccccc3c2Cc2ccc(CN3CCCC3)c(OC)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.66
ESR1 P03372 4/20 0.49
ESR2 Q92731 4/20 0.49

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
SCHEMBL7987881 0.93 F2 (0.67) F2ESR1ESR2
SCHEMBL7990712 0.91 F2 (0.80) F2ESR1ESR2
SCHEMBL7972046 0.91 F2 (0.66) F2ESR1ESR2
Oxalic Acid SCHEMBL7985630 0.90 F2 (0.61) F2ESR1ESR2
SCHEMBL7983523 0.90 F2 (0.59) F2ESR1ESR2
Oxalic Acid SCHEMBL7981827 0.89 F2 (0.65) F2ESR1ESR2
Oxalic Acid SCHEMBL7986656 0.88 F2 (0.52) F2ESR1ESR2
SCHEMBL6596200 0.88 F2 (0.80) F2ESR1ESR2
Oxalic Acid SCHEMBL6593888 0.88 F2 (0.75) F2ESR1ESR2
Oxalic Acid SCHEMBL7981792 0.88 F2 (0.58) 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