SCHEMBL7989741

SCHEMBL7989741

COc1cc(Cc2c(-c3ccc(OCCCCO)cc3)sc3cc(OCc4ccccc4)ccc23)ccc1CN1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.70
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
CD274 Q9NZQ7 1/20 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
SCHEMBL6172092 0.91 F2 (0.73) F2ESR1ESR2CD274
SCHEMBL7972046 0.90 F2 (0.66) F2ESR1ESR2
SCHEMBL6598148 0.90 F2 (0.63) F2CD274
SCHEMBL6173777 0.89 F2 (0.67) F2CD274
Oxalic Acid SCHEMBL7971937 0.88 F2 (0.79) F2ESR1ESR2
Oxalic Acid SCHEMBL7981827 0.88 F2 (0.65) F2ESR1ESR2
SCHEMBL6594628 0.88 F2 (0.75) F2
SCHEMBL6598562 0.88 F2 (0.74) F2ESR1ESR2
SCHEMBL6172241 0.88 F2 (0.66) F2
SCHEMBL6172550 0.87 F2 (0.76) F2CD274

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