SCHEMBL363390

SCHEMBL363390

Cc1ccccc1CC(C)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
DPP4 P27487 2/20 0.42
DPP7 Q9UHL4 1/20 0.42
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CTBP2 P56545 1/20 0.41
KDM4E B2RXH2 2/20 0.41
FAP Q12884 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
MAPK8 P45983 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
SCHEMBL3921085 0.86 ESR1 (0.40) ALDH1A1
SCHEMBL27851029 0.83 PPARG (0.44) PPARGPPARATAAR1DPP4DPP7
SCHEMBL19295494 0.83 KDM4E (0.53) PPARGPPARAHPGDALDH1A1CTBP2
SCHEMBL17101190 0.83 KMT2A (0.46) PPARGPPARATAAR1DPP4DPP7
SCHEMBL7629121 0.83 KDM4E (0.53) PPARGPPARAHPGDALDH1A1CTBP2
SCHEMBL19295493 0.83 KDM4E (0.53) PPARGPPARAHPGDALDH1A1CTBP2
SCHEMBL31112170 0.83 PPARG (0.44) PPARGPPARATAAR1DPP4DPP7
SCHEMBL9817764 0.83 PPARG (0.44) PPARGPPARATAAR1DPP4DPP7
SCHEMBL10483592 0.81 DPP4 (0.48) PPARGPPARATAAR1DPP4DPP7
SCHEMBL15047824 0.81 PPARG (0.43) PPARGPPARATAAR1DPP4DPP7

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
US-5245004-A ANHYDROUS POLYMERIZATION OF CAPROLACTAM WITH CATALYST, COCATALYST AND ACTIVATOR UNITIKA LTD. (JP) 1993-09-14 US claimed
EP-0522533-A1 Process for polymerizing epsilon-caprolactam UNITIKA LTD. (JP) 1993-01-13 EP claimed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-5245004-A ANHYDROUS POLYMERIZATION OF CAPROLACTAM WITH CATALYST, COCATALYST AND ACTIVATOR UNITIKA LTD. (JP) 1993-09-14 US disclosed
EP-0522533-A1 Process for polymerizing epsilon-caprolactam UNITIKA LTD. (JP) 1993-01-13 EP disclosed