SCHEMBL7984714

SCHEMBL7984714

CCOC(=O)CCc1ccc(-c2sc3ccccc3c2Cc2ccc(OCCN3CCCC3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.56
ESR1 P03372 9/20 0.54
ESR2 Q92731 9/20 0.54
ITGA4 P13612 1/20 0.53
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL7415370 0.94 F2 (0.57) F2ESR1ESR2ITGA4
SCHEMBL7983433 0.93 F2 (0.56) F2ESR1ESR2ITGA4
Hydrochloric Acid SCHEMBL7419875 0.93 F2 (0.56) F2ESR1ESR2ITGA4
Hydrochloric Acid SCHEMBL7415499 0.92 F2 (0.55) F2ESR1ESR2ITGA4
SCHEMBL7414299 0.92 F2 (0.58) F2ESR1ESR2ITGA4
Hydrochloric Acid SCHEMBL7414861 0.91 F2 (0.57) F2ESR1ESR2ITGA4
SCHEMBL6598696 0.90 F2 (0.53) F2ESR1ESR2ITGA4
SCHEMBL6599171 0.88 F2 (0.54) F2ESR1ESR2ITGA4
SCHEMBL7982536 0.86 F2 (0.54) F2ESR1ESR2ITGA4
SCHEMBL7982538 0.86 F2 (0.54) 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