SCHEMBL6097767

SCHEMBL6097767

O=C(O)CC(NC(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccc1O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSA P10619 11/20 0.51
MME P08473 1/20 0.48
KIFC1 Q9BW19 1/20 0.46
FFAR1 O14842 5/20 0.46
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
EEF2K O00418 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
SCHEMBL6097852 0.98 CTSA (0.52) CTSAMMEKIFC1FFAR1SLC1A3
SCHEMBL6098436 0.97 CTSA (0.51) CTSAMMEKIFC1FFAR1SLC1A3
SCHEMBL6099049 0.95 CTSA (0.50) CTSAFFAR1EEF2K
SCHEMBL5927615 0.91 CTSA (0.47) CTSAMMEKIFC1
SCHEMBL6100717 0.89 MME (0.49) CTSAMMEFFAR1
SCHEMBL5927400 0.89 CTSA (0.47) CTSAMMEKIFC1FFAR1SLC1A3
SCHEMBL5927454 0.89 CTSA (0.47) CTSAMMEKIFC1FFAR1SLC1A3
SCHEMBL6095745 0.88 CYP26A1 (0.48) CTSAMMEFFAR1EEF2K
SCHEMBL5926972 0.87 CTSA (0.49) CTSAMMEKIFC1SLC1A3SLC1A2
SCHEMBL5926458 0.87 CTSA (0.48) CTSAMMEKIFC1SLC1A3SLC1A2

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-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 US disclosed