SCHEMBL6100717

SCHEMBL6100717

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

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.49
MMP12 P39900 1/20 0.48
FFAR1 O14842 9/20 0.46
WDR5 P61964 1/20 0.46
CTSA P10619 5/20 0.44
ITGB3 P05106 1/20 0.43
ITGAV P06756 1/20 0.43
SLC13A5 Q86YT5 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
SCHEMBL5926600 0.91 MME (0.42) MMEMMP12FFAR1WDR5CTSA
SCHEMBL6099049 0.90 CTSA (0.50) MMP12FFAR1CTSA
SCHEMBL6097767 0.89 CTSA (0.51) MMEFFAR1CTSA
SCHEMBL6098336 0.88 MMP12 (0.60) MMEMMP12CTSAITGB3ITGAV
SCHEMBL6100609 0.88 MMP12 (0.48) MMEMMP12FFAR1CTSAITGB3
SCHEMBL6097852 0.87 CTSA (0.52) MMEMMP12FFAR1WDR5CTSA
SCHEMBL6098436 0.86 CTSA (0.51) MMEMMP12FFAR1CTSA
SCHEMBL6100710 0.84 KIFC1 (0.56) MMESLC13A5
SCHEMBL6095745 0.84 CYP26A1 (0.48) MMEFFAR1CTSA
SCHEMBL5926414 0.83 TACR3 (0.50) FFAR1CTSA

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