SCHEMBL8374079

SCHEMBL8374079

CC(C)(C)c1ccc(C(OPP)(c2ccc(C(C)(C)C)cc2C(C)(C)C)C(CO)(CO)CO)c(C(C)(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2C19 P33261 1/20 0.31
SCN10A Q9Y5Y9 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
SCHEMBL1702396 0.79 CYP2C19 (0.35) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL4215102 0.78 ALDH1A1 (0.33) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL17707252 0.76 TRPV1 (0.35) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL27203702 0.76 TRPV1 (0.35) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL29556111 0.73 ALDH1A1 (0.38) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL29978779 0.72 ALDH1A1 (0.37) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL29847150 0.71 ALDH1A1 (0.32) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL190992 0.70 TRPV1 (0.30)
SCHEMBL29405018 0.70 ALDH1A1 (0.35) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL29600963 0.70 ALDH1A1 (0.35) ALDH1A1HPGDALOX15HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11133654-A None JP disclosed
JP-H11133654-A TONER COMPOSITION MITSUBISHI RAYON CO LTD 1999-05-21 JP disclosed
US-5382266-A Fuel with stability additive and process for stabilizing fuel using an additive PHILLIPS PETROLEUM COMPANY (US) 1995-01-17 US disclosed