SCHEMBL718741

SCHEMBL718741

O=C1CCCC(=O)N1c1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
DDAH1 O94760 1/20 0.52
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.51
HSD17B10 Q99714 2/20 0.51
HPGD P15428 2/20 0.51
PKM P14618 2/20 0.51
ELANE P08246 1/20 0.50
KMT2A Q03164 6/20 0.47
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 2/20 0.47
RECQL P46063 1/20 0.47
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
CYP1A2 P05177 1/20 0.43
HTR1A P08908 1/20 0.43
CYP2D6 P10635 1/20 0.43
NCF1 P14598 1/20 0.43
TSHR P16473 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
SCHEMBL890402 0.92 POLB (0.61) POLBDDAH1MAPTALDH1A1HSD17B10
SCHEMBL719850 0.84 POLB (0.41) POLBDDAH1MAPTALDH1A1HSD17B10
SCHEMBL611001 0.79 SCN9A (0.47) POLBDDAH1MAPTALDH1A1HSD17B10
SCHEMBL29929651 0.79 SCN9A (0.47) POLBDDAH1MAPTALDH1A1HSD17B10
SCHEMBL28883335 0.79 POLB (0.64) POLBDDAH1MAPTALDH1A1HSD17B10
SCHEMBL29741442 0.79 SCN9A (0.47) POLBDDAH1MAPTALDH1A1HSD17B10
SCHEMBL610033 0.77 DDAH1 (0.49) POLBDDAH1MAPTALDH1A1HSD17B10
SCHEMBL16395740 0.77 ELANE (0.54) POLBDDAH1MAPTALDH1A1HSD17B10
SCHEMBL718047 0.77 ALDH1A1 (0.43) POLBDDAH1MAPTALDH1A1HSD17B10
SCHEMBL9819361 0.77 POLB (0.49) POLBDDAH1MAPTALDH1A1HSD17B10

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
US-9150414-B2 Nanocomposite and dispersion comprising the same KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2015-10-06 US disclosed
US-20120053288-A1 NANOCOMPOSITE AND DISPERSION COMPRISING THE SAME KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2012-03-01 US disclosed