SCHEMBL6097852

SCHEMBL6097852

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSA P10619 12/20 0.52
MME P08473 1/20 0.50
KIFC1 Q9BW19 1/20 0.47
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
KIF11 P52732 1/20 0.43
CDK2 P24941 1/20 0.42
FFAR1 O14842 1/20 0.42
WDR5 P61964 1/20 0.42
MMP12 P39900 1/20 0.42

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
SCHEMBL6098436 0.99 CTSA (0.51) CTSAMMEKIFC1SLC1A3SLC1A2
SCHEMBL6097767 0.98 CTSA (0.51) CTSAMMEKIFC1SLC1A3SLC1A2
SCHEMBL6099049 0.93 CTSA (0.50) CTSAFFAR1MMP12
SCHEMBL5927615 0.92 CTSA (0.47) CTSAMMEKIFC1
SCHEMBL5926972 0.89 CTSA (0.49) CTSAMMEKIFC1SLC1A3SLC1A2
SCHEMBL5926458 0.89 CTSA (0.48) CTSAMMEKIFC1SLC1A3SLC1A2
SCHEMBL6100717 0.87 MME (0.49) CTSAMMEFFAR1WDR5MMP12
SCHEMBL5927400 0.87 CTSA (0.47) CTSAMMEKIFC1SLC1A3SLC1A2
SCHEMBL5927454 0.87 CTSA (0.47) CTSAMMEKIFC1SLC1A3SLC1A2
SCHEMBL5927269 0.86 CTSA (0.46) 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