SCHEMBL11802416

SCHEMBL11802416

Cc1ccc(C(C)c2ccc(Nc3ccc4ccccc4c3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.58
CYP3A4 P08684 2/20 0.58
ALDH1A1 P00352 1/20 0.58
HSD17B10 Q99714 1/20 0.58
CYP26A1 O43174 12/20 0.57
SNCA P37840 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CYP2A6 P11509 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
UGT2B7 P16662 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 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
SCHEMBL1011514 0.88 HPGD (0.73) HPGDCYP3A4ALDH1A1HSD17B10CYP26A1
SCHEMBL29489400 0.88 HPGD (0.73) HPGDCYP3A4ALDH1A1HSD17B10CYP26A1
SCHEMBL16344079 0.84 ALDH1A1 (0.68) HPGDCYP3A4ALDH1A1HSD17B10CYP26A1
SCHEMBL11802401 0.84 CYP26A1 (0.45) HPGDCYP3A4ALDH1A1HSD17B10CYP26A1
SCHEMBL19763106 0.83 HPGD (0.66) HPGDCYP3A4ALDH1A1HSD17B10CYP26A1
SCHEMBL15505824 0.83 HPGD (0.64) HPGDCYP3A4ALDH1A1HSD17B10CYP26A1
SCHEMBL15960970 0.83 HPGD (0.65) HPGDCYP3A4ALDH1A1HSD17B10CYP26A1
SCHEMBL10712966 0.82 HPGD (0.56) HPGDCYP3A4ALDH1A1HSD17B10CYP26A1
SCHEMBL10781589 0.81 HPGD (0.68) HPGDCYP3A4ALDH1A1HSD17B10CYP26A1
SCHEMBL20342387 0.79 CYP2A6 (0.68) HPGDCYP3A4ALDH1A1HSD17B10CYP26A1

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-3944492-A Lubricant compositions containing N-substituted naphthylamines as antioxidants UNIROYAL, INC. (US) 1976-03-16 US claimed
US-3944492-A Lubricant compositions containing N-substituted naphthylamines as antioxidants UNIROYAL, INC. (US) 1976-03-16 US disclosed