SCHEMBL9503301

SCHEMBL9503301

CCc1c(Cl)cc(C(C)(C)C)c(O)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.54
CYP2C19 P33261 5/20 0.54
HIF1A Q16665 5/20 0.54
CYP2C9 P11712 4/20 0.54
TP53 P04637 2/20 0.54
HSPA5 P11021 3/20 0.43
CA2 P00918 3/20 0.42
CA1 P00915 2/20 0.42
ALDH1A1 P00352 6/20 0.41
POLB P06746 2/20 0.41
TYR P14679 1/20 0.41
LMNA P02545 4/20 0.38
TSHR P16473 4/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 2/20 0.38
CYP1A2 P05177 5/20 0.37
MAPT P10636 5/20 0.37
ALOX15 P16050 4/20 0.37
HPN P05981 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37

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
SCHEMBL6292059 0.80 HIF1A (0.49) SMN1; SMN2CYP2C19HIF1ACYP2C9TP53
SCHEMBL9149388 0.80 CA2 (0.56) SMN1; SMN2CYP2C19HIF1ACYP2C9TP53
SCHEMBL3123543 0.78 SMN1; SMN2 (0.47) SMN1; SMN2CYP2C19HIF1ACYP2C9TP53
SCHEMBL24946528 0.78 SMN1; SMN2 (0.53) SMN1; SMN2CYP2C19HIF1ACYP2C9TP53
SCHEMBL11141922 0.78 CA2 (0.54) SMN1; SMN2CYP2C19HIF1ACYP2C9TP53
SCHEMBL12774727 0.75 SIRT1 (0.47) SMN1; SMN2CYP2C19HIF1ACYP2C9TP53
SCHEMBL10488673 0.75 SMN1; SMN2 (0.65) SMN1; SMN2CYP2C19HIF1ACYP2C9TP53
SCHEMBL31532254 0.73 GAA (0.37) SMN1; SMN2CYP2C19HIF1AHSPA5CA2
SCHEMBL3031653 0.73 GAA (0.37) SMN1; SMN2CYP2C19HIF1AHSPA5CA2
SCHEMBL16117993 0.72 ALOX15 (0.52) SMN1; SMN2CYP2C19HIF1ACYP2C9TP53

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-5140018-A None JP disclosed
JP-H05140018-A PRODUCTION OF 6-T-BUTYL-2,4-DICHLORO-3-ETHYLPHENOL SUMITOMO CHEM CO LTD 1993-06-08 JP disclosed