SCHEMBL11802401

SCHEMBL11802401

Cc1ccc(C(C)c2ccccc2Nc2ccc3ccccc3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 6/20 0.45
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
CYP3A4 P08684 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.40
CYP2A6 P11509 1/20 0.40
MAP2K2 P36507 1/20 0.38
MAP2K1 Q02750 1/20 0.38
UGT2B7 P16662 1/20 0.38
SNCA P37840 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CYP2D6 P10635 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL11802416 0.84 HPGD (0.58) CYP26A1RAB9ANPC1CYP3A4ALDH1A1
SCHEMBL20067360 0.82 ALDH1A1 (0.53) CYP26A1RAB9ANPC1CYP3A4ALDH1A1
SCHEMBL10712961 0.82 GAA (0.39) RAB9ANPC1ALDH1A1HPGDTDP1
SCHEMBL11798225 0.77 ALDH1A1 (0.44) RAB9ACYP3A4ALDH1A1HSD17B10HPGD
SCHEMBL12190525 0.76 ALDH1A1 (0.40) CYP26A1RAB9ANPC1CYP3A4ALDH1A1
SCHEMBL1011514 0.75 HPGD (0.73) CYP26A1RAB9ANPC1CYP3A4ALDH1A1
SCHEMBL29489400 0.75 HPGD (0.73) CYP26A1RAB9ANPC1CYP3A4ALDH1A1
SCHEMBL29688279 0.73 ALDH1A1 (0.68) RAB9ANPC1CYP3A4ALDH1A1HSD17B10
SCHEMBL1923372 0.73 ALDH1A1 (0.68) RAB9ANPC1CYP3A4ALDH1A1HSD17B10
SCHEMBL15960966 0.72 HPGD (0.46) RAB9ANPC1ALDH1A1HPGDSLC6A2

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