SCHEMBL7817191

SCHEMBL7817191

CC(C)(Oc1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.63
ITGA2B P08514 1/20 0.63
ALDH1A1 P00352 6/20 0.57
HTT P42858 2/20 0.57
KDM4E B2RXH2 1/20 0.57
GAA P10253 2/20 0.51
PPARD Q03181 1/20 0.50
PPARA Q07869 1/20 0.50
MAPT P10636 5/20 0.49
LMNA P02545 4/20 0.49
MAPK1 P28482 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
ALOX15 P16050 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL7814125 0.89 ALDH1A1 (0.72) ITGB3ITGA2BALDH1A1HTTKDM4E
SCHEMBL7814082 0.89 ITGB3 (0.65) ITGB3ITGA2BALDH1A1HTTKDM4E
SCHEMBL7811736 0.89 ITGB3 (0.64) ITGB3ITGA2BALDH1A1HTTKDM4E
SCHEMBL7813301 0.88 ALDH1A1 (0.64) ITGB3ITGA2BALDH1A1HTTKDM4E
SCHEMBL7810078 0.88 ITGB3 (0.63) ITGB3ITGA2BALDH1A1HTTKDM4E
SCHEMBL7811714 0.88 ITGB3 (0.63) ITGB3ITGA2BALDH1A1HTTKDM4E
SCHEMBL7810027 0.87 MAPT (0.50) ITGB3ITGA2BALDH1A1HTTKDM4E
SCHEMBL7810083 0.87 ALDH1A1 (0.69) ITGB3ITGA2BALDH1A1HTTKDM4E
SCHEMBL7817538 0.86 PPARD (0.68) ITGB3ITGA2BALDH1A1HTTKDM4E
SCHEMBL7813621 0.81 HSD11B1 (0.53) ITGB3ITGA2BALDH1A1HTTGAA

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