SCHEMBL24200375

SCHEMBL24200375

CNc1cccc(C)c1-c1c(C)cccc1NC(=O)N1CCCC1C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.74
▸ ITGB1 P05556 2/20 0.74
▸ ITGAV P06756 2/20 0.74
▸ ITGA5 P08648 2/20 0.74
▸ ITGA4 P13612 2/20 0.74
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ KMT2A Q03164 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ THRB P10828 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ TSHR P16473 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ ATM Q13315 1/20 0.43

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
SCHEMBL20436304 0.87 ITGB3 (0.68) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL20436308 0.84 ITGB3 (0.64) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL5763695 0.77 ITGB1 (0.79) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL16105033 0.76 ITGB3 (0.70) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL16105032 0.76 ITGB3 (0.70) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL5105015 0.75 ITGB3 (0.72) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL4186674 0.73 KMT2A (0.76) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL11783845 0.73 ITGB3 (0.57) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL11783834 0.73 ITGB3 (0.57) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL16098444 0.73 ITGB3 (0.67) ITGB3ITGB1ITGAVITGA5ITGA4

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
EP-3358346-B1 ENANTIOMER ANALYSIS METHOD AJINOMOTO KK (JP) 2022-01-19 — — EP disclosed
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