SCHEMBL9770229

SCHEMBL9770229

C=CCc1c(C)c(C(C)CC(c2cc(C(C)(C)C)c(O)c(CC=C)c2C)c2cc(C(C)(C)C)c(O)c(CC=C)c2C)cc(C(C)(C)C)c1O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.38
CYP2C19 P33261 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
ALOX15 P16050 2/20 0.33
CYP2D6 P10635 1/20 0.33
CA2 P00918 3/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
HSPA5 P11021 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
CA1 P00915 2/20 0.30
HPN P05981 1/20 0.30
MAPT P10636 1/20 0.30
SIRT5 Q9NXA8 1/20 0.30

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
SCHEMBL550440 0.78 ALDH1A1 (0.38) CYP2C9CYP2C19SMN1; SMN2TP53HIF1A
SCHEMBL9540483 0.74 CA2 (0.45) CYP2C9CYP2C19SMN1; SMN2TP53HIF1A
SCHEMBL28160134 0.69 ALOX15 (0.57) CYP2C9CYP2C19SMN1; SMN2TP53HIF1A
SCHEMBL6020246 0.69 CA2 (0.37) CYP2C9CYP2C19SMN1; SMN2TP53HIF1A
SCHEMBL9201480 0.67 GABRA1 (0.44) CYP2C9CYP2C19SMN1; SMN2TP53HIF1A
SCHEMBL26591 0.66 CYP2C9 (0.65) CYP2C9CYP2C19SMN1; SMN2TP53HIF1A
SCHEMBL29359445 0.66 CYP2C9 (0.65) CYP2C9CYP2C19SMN1; SMN2TP53HIF1A
SCHEMBL3083256 0.66 RORC (0.38) CYP2C9CYP2C19TP53ALOX15CYP2D6
SCHEMBL29373419 0.66 RORC (0.38) CYP2C9CYP2C19TP53ALOX15CYP2D6
SCHEMBL29367721 0.66 CYP2C9 (0.65) CYP2C9CYP2C19SMN1; SMN2TP53HIF1A

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
JP-3232832-A None JP disclosed
JP-H03232832-A TRIALLYLPHENOL COMPOUND AND HARDENER MITSUBISHI PETROCHEM CO LTD 1991-10-16 JP disclosed