SCHEMBL6099348

SCHEMBL6099348

O=C(O)CC(NC(=O)c1cc(-c2ccccc2C(F)(F)F)ccc1O)c1ccc(-c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 5/20 0.50
CTSA P10619 11/20 0.49
MME P08473 1/20 0.48
CYP26A1 O43174 1/20 0.43
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
FFAR4 Q5NUL3 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
SCHEMBL6099065 0.97 CTSA (0.49) MMP12CTSAMMECYP26A1MMP3
SCHEMBL5926401 0.89 CTSA (0.45) MMP12CTSAMMEFFAR4
SCHEMBL5926570 0.87 TACR3 (0.48) MMP12CTSAMME
SCHEMBL6099049 0.83 CTSA (0.50) MMP12CTSACYP26A1MMP3MMP9
SCHEMBL5926790 0.81 CTSA (0.43) MMP12CTSA
SCHEMBL6099342 0.81 MME (0.50) MME
SCHEMBL6098436 0.81 CTSA (0.51) MMP12CTSAMMECYP26A1
SCHEMBL6097852 0.80 CTSA (0.52) MMP12CTSAMME
SCHEMBL6098336 0.79 MMP12 (0.60) MMP12CTSAMMECYP26A1MMP13
SCHEMBL6099061 0.79 KIFC1 (0.51) MME

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