SCHEMBL6684832

SCHEMBL6684832

CCCCOC(=O)NC(CCc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.49
CTSK P43235 2/20 0.49
PPARA Q07869 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PPARG P37231 3/20 0.45
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
MMP2 P08253 2/20 0.44
MMP3 P08254 1/20 0.44
MAPT P10636 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3723028 0.94 TGM2 (0.53) TGM2CTSKPPARASMN1; SMN2PPARG
SCHEMBL8142303 0.89 CTSK (0.61) TGM2CTSKSMN1; SMN2ITGB3ITGA2B
SCHEMBL3630687 0.89 CTSK (0.61) TGM2CTSKSMN1; SMN2ITGB3ITGA2B
SCHEMBL3659010 0.89 CTSK (0.61) TGM2CTSKSMN1; SMN2ITGB3ITGA2B
SCHEMBL5181822 0.88 ITGB1 (0.52) PPARASMN1; SMN2PPARGITGB3ITGA2B
SCHEMBL8023605 0.88 ITGB1 (0.52) PPARASMN1; SMN2PPARGITGB3ITGA2B
SCHEMBL8305419 0.83 PPARA (0.46) PPARAPPARGMAPTALDH1A1LMNA
SCHEMBL3719520 0.82 CTSK (0.63) TGM2CTSKSMN1; SMN2NPC1RAB9A
SCHEMBL16465117 0.80 CTSK (0.60) CTSKSMN1; SMN2NPC1RAB9A
SCHEMBL5177894 0.80 CTSK (0.48) TGM2CTSKSMN1; SMN2ITGB3ITGA2B

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
WO-2004071448-A2 SUBSTITUTED AZOLE DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES TRANSTECH PHARMA INC. (US) 2004-08-26 WO disclosed