SCHEMBL1860671

SCHEMBL1860671

Cc1ccc(Cc2ccc(C)c(O)c2C(C)(C)C)c(C(C)(C)C)c1O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.43
CYP2C19 P33261 4/20 0.43
HIF1A Q16665 3/20 0.43
CYP2D6 P10635 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HSPA5 P11021 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
AMY1A P0DUB6 1/20 0.33
CYP1A2 P05177 1/20 0.32
CA2 P00918 2/20 0.32
TRPA1 O75762 1/20 0.32
POLB P06746 1/20 0.31
TYR P14679 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL4083949 0.86 GABRA1 (0.39) CYP2C9CYP2C19HIF1ACYP2D6HSD17B10
SCHEMBL224091 0.83 HSPA5 (0.41) CYP2C9CYP2C19HIF1ACYP2D6HSD17B10
SCHEMBL10442946 0.81 CYP2C9 (0.45) CYP2C9CYP2C19HIF1ACYP2D6HSD17B10
SCHEMBL31597226 0.80 GABRA1 (0.48) CYP2C9CYP2C19HIF1ACYP2D6HSD17B10
SCHEMBL394653 0.80 GABRA1 (0.48) CYP2C9CYP2C19HIF1ACYP2D6HSD17B10
SCHEMBL28375571 0.80 TYR (0.44) CYP2C9CYP2D6GABRA1GABRB2SMN1; SMN2
SCHEMBL158900 0.79 CA2 (0.46) CYP2C9CYP2C19HIF1ACYP2D6HSD17B10
SCHEMBL7391020 0.77 GABRA1 (0.33) CYP2C9CYP2C19HIF1ACYP2D6HSD17B10
SCHEMBL6611287 0.77 NPSR1 (0.49) ALDH1A1POLB
SCHEMBL31612514 0.76 GABRA1 (0.45) CYP2C9CYP2C19HSD17B10GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105713701-B Additive composition for steam turbine lubricating oil 中国石油天然气股份有限公司 2018-10-16 CN claimed
WO-2024155062-A1 SOAK-OFF GEL NAIL STICKER THAT REDUCES NAIL DAMAGE 주식회사 더케어 2024-07-25 WO disclosed
CN-105713701-B Additive composition for steam turbine lubricating oil 中国石油天然气股份有限公司 2018-10-16 CN disclosed
US-7947863-B2 Hydrogels of hydrophilic polyurethane (meth)acrylates BAYER MATERIAL SCIENCE AG (DE) 2011-05-24 US disclosed
US-20080177213-A1 Hydrogels of hydrophilic polyurethanes (meth)acrylates BAYER MATERIALSCIENCE AG (DE) 2008-07-24 US disclosed