SCHEMBL10716486

SCHEMBL10716486

CC(Cl)C(=O)O.c1cc2ccc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.52
GAA P10253 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
CYP2C19 P33261 1/20 0.47
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
PDPK1 O15530 1/20 0.41
ADAMTS4 O75173 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MMP2 P08253 2/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
LMNA P02545 2/20 0.40
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL11835743 0.82 PTGS2 (0.56) PTGS2GAACYP1A2CYP2C9PKM
SCHEMBL27585462 0.82 PTGS2 (0.56) PTGS2GAACYP1A2CYP2C9PKM
Dichloroacetic Acid SCHEMBL11843218 0.82 LMNA (0.62) PTGS2GAACYP1A2CYP2C9PKM
Dichloroacetic Acid SCHEMBL7496768 0.82 LMNA (0.62) PTGS2GAACYP1A2CYP2C9PKM
SCHEMBL24339 0.82
SCHEMBL1567548 0.82
SCHEMBL852065 0.82
Lactic Acid SCHEMBL5072826 0.80 TP53 (0.65) PTGS2GAACYP1A2CYP2C9PKM
Naphthalene SCHEMBL27680243 0.79 ALDH1A1 (0.44) PTGS2GAACYP1A2CYP2C9PKM
SCHEMBL5915058 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015030260-A1 COMPOUND HAVING AZO SKELETON STRUCTURE, PIGMENT DISPERSANT, PIGMENT COMPOSITION, PIGMENT DISPERSION, AND TONER CANON KABUSHIKI KAISHA (JP) 2015-03-05 WO disclosed
WO-2013129696-A1 AZO COMPOUND, PIGMENT DISPERSANT CONTAINING THE AZO COMPOUND, PIGMENT COMPOSITION, PIGMENT DISPERSION AND TONER CANON KABUSHIKI KAISHA (JP) 2013-09-06 WO disclosed
WO-2013129433-A1 NOVEL COMPOUND HAVING AZO SKELETON AND PIGMENT DISPERSANT, PIGMENT COMPOSITION, PIGMENT DISPERSION, AND TONER CONTAINING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2013-09-06 WO disclosed
EP-0137494-B1 PROCESS FOR PRODUCING AN ALPHA-HALOGENO-BETA-PHENYLPROPIONIC ACID Tosoh Corporation (JP) 1988-01-27 EP disclosed
EP-0142023-B1 PROCESS FOR PRODUCING DL-PHENYLALANINE TOYO SODA MANUFACTURING CO., LTD. (JP) 1987-01-07 EP disclosed
EP-0142023-A1 Process for producing DL-phenylalanine TOYO SODA MANUFACTURING CO., LTD. (JP) 1985-05-22 EP disclosed