SCHEMBL29797152

SCHEMBL29797152

COc1ccc(C(CC(=O)OC(C)(C)C)c2nc(C=O)co2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSA P10619 14/20 0.36
FFAR1 O14842 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA2B P08514 1/20 0.34
ITGB6 P18564 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL20139523 1.00 CTSA (0.36) CTSAFFAR1MTNR1AMTNR1BITGB3
SCHEMBL20140333 0.88 FFAR1 (0.43) CTSAFFAR1
SCHEMBL21311716 0.87 FFAR1 (0.37) CTSAFFAR1LMNAMAPK1HTT
SCHEMBL29797159 0.87 CTSA (0.38) CTSAFFAR1MTNR1AMTNR1BITGB3
SCHEMBL20139827 0.87 CTSA (0.38) CTSAFFAR1MTNR1AMTNR1BITGB3
SCHEMBL29860536 0.83 CTSA (0.33) CTSAFFAR1MTNR1AMTNR1BITGB3
SCHEMBL28940523 0.83 CTSA (0.33) CTSAFFAR1MTNR1AMTNR1BITGB3
SCHEMBL20153401 0.83 CTSA (0.33) CTSAFFAR1MTNR1AMTNR1BITGB3
SCHEMBL20141524 0.83 PRKCZ (0.37) CTSAFFAR1HTT
SCHEMBL29860369 0.83 PRKCZ (0.37) CTSAFFAR1HTT

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
CN-110167935-B 3-substituted propionic acids as alpha V integrin inhibitors 百时美施贵宝公司 2022-05-27 CN disclosed