SCHEMBL11215289

SCHEMBL11215289

CC(C)(C)c1c(Cl)cc(Cl)c(C(C)(C)C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.43
TSHR P16473 5/20 0.43
HPGD P15428 4/20 0.43
CASP1 P29466 1/20 0.43
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
CYP2C19 P33261 4/20 0.39
HIF1A Q16665 3/20 0.39
CYP2C9 P11712 3/20 0.39
TP53 P04637 1/20 0.39
CA2 P00918 4/20 0.39
CA1 P00915 2/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 2/20 0.38
RECQL P46063 2/20 0.38
TTR P02766 1/20 0.38
POLB P06746 2/20 0.37
TYR P14679 1/20 0.37
CYP1A2 P05177 4/20 0.36
ALOX15 P16050 4/20 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
SCHEMBL5588058 0.81 SMN1; SMN2 (0.52) TSHRSMN1; SMN2CYP2C19HIF1ACYP2C9
SCHEMBL10936836 0.79 HSD17B10 (0.50) HSD17B10HPGDSMN1; SMN2CYP2C19HIF1A
SCHEMBL23542368 0.77 HSD17B10 (0.39) HSD17B10TSHRHPGDCASP1MAPK1
SCHEMBL24854238 0.75 HSD17B10 (0.38) HSD17B10TSHRHPGDCASP1MAPK1
SCHEMBL29575152 0.74 HSD17B10 (0.46) HSD17B10TSHRHPGDCASP1MAPK1
SCHEMBL10599641 0.73 GAA (0.37) HSD17B10TSHRHPGDCASP1MAPK1
SCHEMBL24945812 0.73 ALDH1A1 (0.50) HSD17B10TSHRHPGDCASP1MAPK1
SCHEMBL6230443 0.73 CYP3A4 (0.41) HSD17B10TSHRHPGDMAPK1SMN1; SMN2
SCHEMBL122888 0.73 CA2 (0.38) TSHRSMN1; SMN2CYP2C19CYP2C9CA2
SCHEMBL12251273 0.72 ALDH1A1 (0.45) HSD17B10TSHRHPGDCASP1MAPK1

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
US-4410736-A Coupling of phenols with diphenoquinones THE DOW CHEMICAL COMPANY (US) 1983-10-18 US disclosed