SCHEMBL17827072

SCHEMBL17827072

Cc1ccc(-c2cc(C)c(C)cc2O)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALOX15 P16050 3/20 0.52
HSD17B10 Q99714 3/20 0.52
MAPT P10636 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
ALOX12 P18054 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
G6PD P11413 1/20 0.52
CYP2C9 P11712 1/20 0.52
PKM P14618 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
CCR6 P51684 1/20 0.52
HIF1A Q16665 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL30250666 0.91 TP53 (0.61) TP53TDP1ALOX15HSD17B10MAPT
SCHEMBL1758394 0.91 TP53 (0.61) TP53TDP1ALOX15HSD17B10MAPT
SCHEMBL31547677 0.83 TDP1 (0.52) TP53TDP1ALOX15MAPTALDH1A1
SCHEMBL6243491 0.83 ALDH1A1 (0.72) TP53TDP1ALOX15HSD17B10MAPT
SCHEMBL3043421 0.83 TDP1 (0.52) TP53TDP1ALOX15MAPTALDH1A1
SCHEMBL5088743 0.81 TP53 (0.56) TP53TDP1ALOX15HSD17B10MAPT
SCHEMBL6068072 0.80 TP53 (0.54) TP53TDP1CYP1A2CYP2C19TRPA1
SCHEMBL14455084 0.79 ESR2 (0.63) TP53TDP1CYP1A2CYP2C19ESR1
SCHEMBL1828915 0.78 TP53 (0.52) TP53TDP1ALOX15HSD17B10MAPT
SCHEMBL29362536 0.78 TP53 (0.52) TP53TDP1ALOX15HSD17B10MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2325225-B1 Complex aryl copolymer compounds and polymer light emitting devices made by using the same SUMITOMO CHEMICAL CO (JP) 2016-06-15 EP disclosed