SCHEMBL7906194

SCHEMBL7906194

CC(=O)N1CC(=S)C[C@H]1C(=O)O.N[C@@H](Cc1ccc(NC(=O)c2ccncc2)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.41
ITGB1 P05556 1/20 0.41
ITGB3 P05106 2/20 0.41
ITGAV P06756 2/20 0.41
ITGA2B P08514 1/20 0.41
GAA P10253 1/20 0.39
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.37
KMT2A Q03164 2/20 0.37
AKT1 P31749 1/20 0.37
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
MMP2 P08253 1/20 0.37
ANPEP P15144 1/20 0.37
NAMPT P43490 1/20 0.36

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
SCHEMBL7906197 0.87 CCR2 (0.44) ITGA4ITGB1ITGB3ITGAVITGA2B
SCHEMBL7908666 0.85 ITGB1 (0.52) ITGA4ITGB1
SCHEMBL7896693 0.84 ITGB1 (0.47) ITGA4ITGB1ITGB3ITGAVITGA2B
SCHEMBL7906163 0.83 L3MBTL1 (0.36) ITGB1ITGB3ITGAVITGA2BALDH1A1
SCHEMBL7905098 0.83 ITGB1 (0.50) ITGA4ITGB1
SCHEMBL7908862 0.82 ALDH1A1 (0.46) ITGA4ITGB1ITGB3ITGAVITGA2B
SCHEMBL7905121 0.82 ITGA4 (0.42) ITGA4ITGB1ITGB3ITGAVITGA2B
SCHEMBL6934867 0.82 LTA4H (0.39) MMP2
SCHEMBL7906161 0.81 GRB2 (0.47)
Phenylalanine SCHEMBL7906184 0.80 SLC7A5 (0.52)

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-6197794-B1 ANTIINFLAMAMTORY AGENTS; IMMUNOLOGY DISEASES CELLTECH THERAPEUTICS LIMITED (GB) 2001-03-06 US disclosed