SCHEMBL7810083

SCHEMBL7810083

CC(C)(Oc1ccc(N2CCN(C(=O)c3ccncc3)CC2)cc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
GAA P10253 1/20 0.69
ITGB3 P05106 1/20 0.61
ITGA2B P08514 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.59
AKR1C3 P42330 1/20 0.59
HTT P42858 2/20 0.55
KDM4E B2RXH2 1/20 0.55
PPARD Q03181 1/20 0.54
PPARA Q07869 1/20 0.54
CYP3A4 P08684 4/20 0.52
CYP2D6 P10635 2/20 0.52
CYP1A2 P05177 1/20 0.52
LMNA P02545 3/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL7811736 0.90 ITGB3 (0.64) ALDH1A1GAAITGB3ITGA2BHTT
SCHEMBL7814125 0.88 ALDH1A1 (0.72) ALDH1A1GAAITGB3ITGA2BSMN1; SMN2
SCHEMBL7814082 0.88 ITGB3 (0.65) ALDH1A1GAAITGB3ITGA2BHTT
SCHEMBL7813449 0.88 ALDH1A1 (0.60) ALDH1A1GAAITGB3ITGA2BSMN1; SMN2
SCHEMBL7817538 0.87 PPARD (0.68) ALDH1A1GAAITGB3ITGA2BSMN1; SMN2
SCHEMBL7811529 0.87 ALDH1A1 (0.56) ALDH1A1GAAITGB3ITGA2BSMN1; SMN2
SCHEMBL7810078 0.87 ITGB3 (0.63) ALDH1A1GAAITGB3ITGA2BHTT
SCHEMBL7817191 0.87 ITGB3 (0.63) ALDH1A1GAAITGB3ITGA2BHTT
SCHEMBL7811714 0.87 ITGB3 (0.63) ALDH1A1GAAITGB3ITGA2BSMN1; SMN2
SCHEMBL7813301 0.87 ALDH1A1 (0.64) ALDH1A1GAAITGB3ITGA2BSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607536-B1 Arylamide derivatives SS PHARMACEUTICAL CO (JP) 2001-01-24 EP disclosed
US-5532371-A SIDE EFFECT REDUCTION SS PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 US disclosed
US-5411972-A Arylamide derivatives for treating hyperlipemia SS PHARMACEUTICAL CO., LTD. (JP) 1995-05-02 US disclosed
EP-0607536-A1 Arylamide derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1994-07-27 EP disclosed