SCHEMBL11802411

SCHEMBL11802411

CC(C)(c1ccccc1)c1ccc(Nc2ccc3ccccc3c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
CYP3A4 P08684 3/20 0.67
HSD17B10 Q99714 3/20 0.67
HPGD P15428 1/20 0.67
NR3C2 P08235 3/20 0.47
SNCA P37840 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
CYP26A1 O43174 4/20 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
HIF1A Q16665 1/20 0.43
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
ALOX12 P18054 2/20 0.42
MAPK1 P28482 2/20 0.42

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
SCHEMBL11130672 0.93 ALDH1A1 (0.56) ALDH1A1CYP3A4HSD17B10HPGDNR3C2
SCHEMBL15505827 0.86 ALDH1A1 (0.66) ALDH1A1CYP3A4HSD17B10HPGDSNCA
SCHEMBL29706072 0.86 ALDH1A1 (0.66) ALDH1A1CYP3A4HSD17B10HPGDSNCA
SCHEMBL158574 0.85 NR3C2 (0.60) ALDH1A1CYP3A4HSD17B10HPGDNR3C2
SCHEMBL15089232 0.85 ALDH1A1 (0.51) ALDH1A1CYP3A4HSD17B10HPGDNR3C2
SCHEMBL1576428 0.83 ALDH1A1 (0.59) ALDH1A1CYP3A4HSD17B10HPGDNR3C2
SCHEMBL10687496 0.81 ESR1 (0.54) ALDH1A1CYP3A4NR3C2ESR1ESR2
SCHEMBL11466814 0.81 ALDH1A1 (1.00) ALDH1A1CYP3A4HSD17B10HPGDSNCA
SCHEMBL8626323 0.81 ALDH1A1 (0.62) ALDH1A1CYP3A4HSD17B10HPGDNR3C2
SCHEMBL29354421 0.81 ALDH1A1 (1.00) ALDH1A1CYP3A4HSD17B10HPGDSNCA

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