Diphenylacetic Acid

Diphenylacetic Acid

SCHEMBL10358556

NCCCCC(N)C(=O)O.O=C(O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.65

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Known targets — ChEMBL curated mechanism

PPARDPTGS1PTGS2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Diphenylacetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 known ✓ P23219 1/20 0.43
▸ GSR P00390 1/20 0.65
▸ POLB P06746 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ DPP8 Q6V1X1 1/20 0.49
▸ DPP9 Q86TI2 1/20 0.49
▸ DPP7 Q9UHL4 1/20 0.49
▸ MMP2 P08253 1/20 0.48
▸ GRM2 Q14416 2/20 0.48
▸ GRM3 Q14832 2/20 0.48
▸ HTR2A P28223 1/20 0.46
▸ HRH1 P35367 1/20 0.46
▸ KIF11 P52732 3/20 0.45
▸ THRB P10828 1/20 0.44
▸ ALPI P09923 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ XIAP P98170 1/20 0.43
▸ SLC7A5 Q01650 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
Aminodiphenylmethane SCHEMBL23925166 0.89 GSR (0.67) GSRPOLBKMT2ATDP1DPP8
Aminodiphenylmethane SCHEMBL14167635 0.89 GSR (0.67) GSRPOLBKMT2ATDP1DPP8
Phenylglycine SCHEMBL23629659 0.87 GSR (0.65) GSRPOLBKMT2ATDP1DPP8
Mandelic Acid SCHEMBL21383946 0.86 GSR (0.62) GSRPOLBKMT2ATDP1DPP8
Diphenamide SCHEMBL20572456 0.86 GSR (0.54) GSRPOLBKMT2ATDP1DPP8
Lysine SCHEMBL29438093 0.84 GSR (0.61) GSRPOLBKMT2ATDP1DPP8
Lysine SCHEMBL28214073 0.84 GSR (0.91) GSRPOLBKMT2ATDP1DPP8
Lysine SCHEMBL28249818 0.83 GSR (0.69) GSRPOLBKMT2ATDP1DPP8
Lysine SCHEMBL28249816 0.83 GSR (0.69) GSRPOLBKMT2ATDP1DPP8
Diphenylamine SCHEMBL593267 0.82 GSR (0.67) GSRPOLBKMT2ATDP1DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0261565-B1 LYSINE SALT OF 4-DIPHENYLACETIC ACID AND ITS OPHTHALMIC FORMULATIONS S.I.F.I. Società Industria Farmaceutica Italiana S.p.A. (IT) 1990-11-22 — — EP disclosed
US-4797423-A ANTIINFLAMMATORY AGENTS, ANALGESICS S.I.F.I. SOCIETA INDUSTRIA FARMACEUTICA ITALIANA S.P.A. (IT) 1989-01-10 — — US disclosed
EP-0261565-A1 Lysine salt of 4-diphenylacetic acid and its ophthalmic formulations S.I.F.I. Società Industria Farmaceutica Italiana S.p.A. (IT) 1988-03-30 — — EP disclosed
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