SCHEMBL16280647

SCHEMBL16280647

Cc1cccc(F)c1C(=O)N1CCCC(C(=O)O)[C@@H]1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.43
ITGB3 P05106 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGAV P06756 1/20 0.40
ITGA5 P08648 1/20 0.40
ITGA4 P13612 1/20 0.40
KMT2A Q03164 3/20 0.39
RAB9A P51151 1/20 0.39
RIPK1 Q13546 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
HCRTR1 O43613 4/20 0.38
HCRTR2 O43614 4/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR2 P34972 1/20 0.38
OPRM1 P35372 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37

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
SCHEMBL18801708 1.00 PREP (0.43) PREPITGB3ITGB1ITGAVITGA5
SCHEMBL3341716 1.00 PREP (0.43) PREPITGB3ITGB1ITGAVITGA5
SCHEMBL3341710 1.00 PREP (0.43) PREPITGB3ITGB1ITGAVITGA5
SCHEMBL3341723 1.00 PREP (0.43) PREPITGB3ITGB1ITGAVITGA5
SCHEMBL25432711 0.91 PREP (0.45) PREPITGB3ITGB1ITGAVITGA5
SCHEMBL15065340 0.91 PREP (0.45) PREPITGB3ITGB1ITGAVITGA5
Oxalic Acid SCHEMBL25431331 0.91 PREP (0.44) PREPITGB3ITGB1ITGAVITGA5
SCHEMBL16280637 0.87 CNR2 (0.51) PREPKMT2AHCRTR1HCRTR2MEN1
SCHEMBL18609681 0.87 CNR2 (0.51) PREPKMT2AHCRTR1HCRTR2MEN1
SCHEMBL12160754 0.87 CNR2 (0.51) PREPKMT2AHCRTR1HCRTR2MEN1

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-8906938-B2 C5aR antagonists CHEMOCENTRYX, INC. (US) 2014-12-09 US disclosed