SCHEMBL7983523

SCHEMBL7983523

COC(=O)CCCOc1ccc(-c2sc3ccccc3c2Cc2ccc(CN3CCCC3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.59
ESR1 P03372 6/20 0.51
ESR2 Q92731 6/20 0.51
ITGA4 P13612 1/20 0.46

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
SCHEMBL7972400 0.93 ESR1 (0.59) F2ESR1ESR2ITGA4
SCHEMBL7985805 0.90 F2 (0.66) F2ESR1ESR2
SCHEMBL7986180 0.90 F2 (0.60) F2ESR1ESR2ITGA4
Lithium Ion SCHEMBL7986184 0.89 F2 (0.59) F2ESR1ESR2ITGA4
SCHEMBL7415370 0.85 F2 (0.57) F2ESR1ESR2ITGA4
SCHEMBL6595837 0.84 F2 (0.76) F2ESR1ESR2ITGA4
SCHEMBL7985788 0.84 ESR1 (0.52) F2ESR1ESR2ITGA4
SCHEMBL6603846 0.84 ESR1 (0.52) F2ESR1ESR2ITGA4
Hydrochloric Acid SCHEMBL7419875 0.84 F2 (0.56) F2ESR1ESR2ITGA4
SCHEMBL6606766 0.84 ESR1 (0.55) F2ESR1ESR2ITGA4

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