SCHEMBL7713449

SCHEMBL7713449

Cc1cccc(Cc2ccc(O)c(Cc3cccc(C)c3C)c2)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
MAPT P10636 3/20 0.46
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
TRPA1 O75762 1/20 0.44
ATM Q13315 1/20 0.44
AMY1A P0DUB6 1/20 0.43
KEAP1 Q14145 1/20 0.42
MEN1 O00255 2/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
KMT2A Q03164 2/20 0.41
HIF1A Q16665 2/20 0.41
HSPA5 P11021 2/20 0.41
SLC7A5 Q01650 1/20 0.40
SLC22A1 O15245 1/20 0.40

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
SCHEMBL11119190 0.86 ESR1 (0.49) ESR1ESR2MAPTHSD17B10TP53
SCHEMBL1834878 0.82 HSPA5 (0.64) ESR1ESR2MAPTHSD17B10TP53
SCHEMBL7705080 0.81 ALDH1A1 (0.43) ESR1ESR2MAPTHSD17B10TP53
SCHEMBL21250284 0.81 ESR1 (0.56) ESR1ESR2MAPTHSD17B10GAA
SCHEMBL15248109 0.80 AMY1A (0.67) ESR1ESR2MAPTHSD17B10TRPA1
SCHEMBL18287640 0.80 ESR1 (0.59) ESR1ESR2MAPTHSD17B10TP53
SCHEMBL14708688 0.80 HSPA5 (0.67) ESR1ESR2MAPTHSD17B10KEAP1
SCHEMBL10049007 0.80 HSPA5 (0.67) ESR1ESR2MAPTHSD17B10KEAP1
SCHEMBL28298946 0.79 ESR1 (0.63) ESR1ESR2MAPTHSD17B10TP53
SCHEMBL3306785 0.79 ESR1 (0.47) ESR1ESR2MAPTHSD17B10TP53

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
US-11344524-B2 Brain derived PPARα ligands RUSH UNIVERSITY MEDICAL CENTER (US) 2022-05-31 US disclosed
US-20200206177-A1 Brain Derived PPARa Ligands RUSH UNIVERSITY MEDICAL CENTER (US) 2020-07-02 US disclosed
US-6365634-B1 CUMYLPHENOL; NONSTEROIDAL ANTIINFLAMMATORY AGENT; FROM PEAT BOG C-P TECHNOLOGY LIMITED PARTNERSHIP 2002-04-02 US disclosed
US-4071565-A SUBSTITUTED PHENOLS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-01-31 US disclosed
US-3989665-A Butylated, α-methyl styrenated phenolic antioxidants for polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-11-02 US disclosed