SCHEMBL2668282

SCHEMBL2668282

CC(C)(Oc1ccc(Cl)c(Cl)c1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 8/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTR2A P28223 3/20 0.41
▸ PPARG P37231 2/20 0.41
▸ FABP2 P12104 1/20 0.41
▸ SLC22A12 Q96S37 1/20 0.41
▸ KMO O15229 1/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PMP22 Q01453 1/20 0.41

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
SCHEMBL3372781 0.84 PPARA (0.66) PPARACYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL626124 0.80 PPARA (0.70) PPARACYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL31117862 0.78 PPARA (0.70) PPARACYP3A4CYP1A2ALDH1A1HTR2A
SCHEMBL2668320 0.77 PPARA (0.40) PPARACYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL11639708 0.76 PPARA (0.64) PPARACYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL11813157 0.76 CYP1A2 (0.46) PPARACYP1A2CYP2C19MEN1MAPT
SCHEMBL6764273 0.75 HSP90AA1 (0.48) MEN1KMT2AHSP90AA1KDM4EALDH1A1
SCHEMBL7348145 0.75 PPARA (0.39) PPARACYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL4000649 0.74 PPARA (0.47) PPARACYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL3948925 0.74 PPARA (0.47) PPARACYP3A4CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125735-B1 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LTD (IN) 2012-06-27 — — EP disclosed
WO-2008104994-A2 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2008-09-04 — — WO disclosed
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