SCHEMBL7817568

SCHEMBL7817568

CC(C)(Oc1ccc(N2CCN(C(=O)c3cc(I)c(O)c(I)c3)CC2)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.58
ITGA2B P08514 1/20 0.58
ALDH1A1 P00352 8/20 0.49
HTT P42858 4/20 0.49
KDM4E B2RXH2 1/20 0.49
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48
LMNA P02545 7/20 0.47
MAPT P10636 5/20 0.47
MAPK1 P28482 2/20 0.47
ALOX15 P16050 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
CRHBP P24387 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
SCHEMBL7811426 0.89 TSHR (0.47) ITGB3ITGA2BALDH1A1HTTLMNA
SCHEMBL7817518 0.88 ITGB3 (0.57) ITGB3ITGA2BALDH1A1HTTKDM4E
SCHEMBL7810078 0.86 ITGB3 (0.63) ITGB3ITGA2BALDH1A1HTTKDM4E
SCHEMBL7811736 0.84 ITGB3 (0.64) ITGB3ITGA2BALDH1A1HTTKDM4E
SCHEMBL7810083 0.82 ALDH1A1 (0.69) ITGB3ITGA2BALDH1A1HTTKDM4E
SCHEMBL7814125 0.82 ALDH1A1 (0.72) ITGB3ITGA2BALDH1A1HTTKDM4E
SCHEMBL7814082 0.82 ITGB3 (0.65) ITGB3ITGA2BALDH1A1HTTKDM4E
SCHEMBL7817531 0.82 HSD11B1 (0.46) ITGB3ITGA2BPPARALMNAMAPT
SCHEMBL7814142 0.82 SMN1; SMN2 (0.47) ITGB3ITGA2BALDH1A1KDM4EPPARA
SCHEMBL7811714 0.81 ITGB3 (0.63) ITGB3ITGA2BALDH1A1HTTKDM4E

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