SCHEMBL3469302

SCHEMBL3469302

Cc1ccc(CN(NC(=O)COCc2ccccc2)C(N)=O)cc1.Cc1ccc(Cn2nc(COCc3ccccc3)[nH]c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ CSNK1D P48730 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ AGTR1 P30556 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ ADAMTS5 Q9UNA0 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ CACNA1G O43497 1/20 0.34

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
SCHEMBL2821358 0.83 RAB9A (0.47) CSNK1DSMN1; SMN2ALDH1A1RAB9AGAA
SCHEMBL2824781 0.82 PPARG (0.50) PPARGPPARDPPARASMN1; SMN2TDP1
SCHEMBL3478631 0.81 RAB9A (0.43) CSNK1DSMN1; SMN2ALDH1A1RAB9AGAA
SCHEMBL3469511 0.80 PPARA (0.48) PPARGPPARDPPARASMN1; SMN2TDP1
SCHEMBL2818927 0.68 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1RAB9AGAANPC1
SCHEMBL2530325 0.67 CSNK1D (0.43) CSNK1DSMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL2820962 0.66 PPARG (0.54) PPARGPPARDPPARASMN1; SMN2ALDH1A1
SCHEMBL20202573 0.64 MAPK1 (0.51) SMN1; SMN2TDP1ALDH1A1RAB9ANPSR1
SCHEMBL10598737 0.64 RAB9A (0.56) SMN1; SMN2ALDH1A1RAB9AMAPK1MAPT
SCHEMBL3469303 0.63 MEN1 (0.33) ALDH1A1RAB9AGAAMAPTADAMTS5

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-2010071813-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-α ARYX THERAPEUTICS, INC. (US) 2010-06-24 — — WO disclosed
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