SCHEMBL29054232

SCHEMBL29054232

CC(C)(C)c1cc(O)ccc1Cc1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
TYR P14679 2/20 0.52
CYP2C9 P11712 2/20 0.52
NR1I2 O75469 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MIF P14174 1/20 0.52
ALOX15 P16050 1/20 0.52
HTT P42858 1/20 0.52
NFE2L2 Q16236 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
ESR1 P03372 3/20 0.46
ESR2 Q92731 2/20 0.46
ALOX5 P09917 2/20 0.46
KEAP1 Q14145 1/20 0.44
HSPA5 P11021 2/20 0.43
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 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
SCHEMBL27491082 0.89 ALOX5 (0.61) LMNATYRCYP2C9NR1I2ALDH1A1
SCHEMBL10586839 0.88 TYR (0.59) LMNATYRCYP2C9NR1I2ALDH1A1
SCHEMBL7558821 0.84 TYR (0.50) LMNATYRCYP2C9NR1I2ALDH1A1
SCHEMBL9479010 0.81 ESR1 (0.42) LMNATYRCYP2C9NR1I2ALDH1A1
SCHEMBL5385308 0.80 ALDH1A1 (0.59) LMNATYRCYP2C9NR1I2ALDH1A1
SCHEMBL9007185 0.79 LMNA (0.48) LMNATYRCYP2C9NR1I2ALDH1A1
SCHEMBL30543196 0.79 ALDH1A1 (0.48) LMNATYRCYP2C9NR1I2ALDH1A1
SCHEMBL4634692 0.79 TYR (0.57) LMNATYRCYP2C9NR1I2ALDH1A1
SCHEMBL29054235 0.77 HSPA5 (0.53) LMNATYRCYP2C9NR1I2ALDH1A1
SCHEMBL8377432 0.76 HSPA5 (0.72) LMNATYRCYP2C9NR1I2ALDH1A1

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
CN-116601267-A Flame retardant composition, flame-retardant resin composition, and molded article 株式会社ADEKA 2023-08-15 CN disclosed