SCHEMBL30003468

SCHEMBL30003468

CC(C)(C)c1cc(C(C)(C)c2ccc(O)c(C(C)(C)C)c2)ccc1O.CC(C)(C)c1cc(C(C)(C)c2ccc(O)c(C(C)(C)C)c2)ccc1O.CC(C)(C)c1cc(C(C)(C)c2ccc(O)c(C(C)(C)C)c2)ccc1O.OP(O)OP(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.50
▸ ALOX15 P16050 5/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ ESR1 P03372 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ NR1I2 O75469 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ MIF P14174 1/20 0.50
▸ TYR P14679 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ NFE2L2 Q16236 1/20 0.50
▸ KLF10 Q13118 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ ATP2A2 P16615 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ATP2A3 Q93084 1/20 0.43
▸ HPGD P15428 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL29431941 0.91 ALDH1A1 (0.53) ALDH1A1ALOX15HSD17B10ESR1LMNA
SCHEMBL1972339 0.91 ALDH1A1 (0.55) ALDH1A1ALOX15HSD17B10ESR1LMNA
SCHEMBL29829219 0.91 ALDH1A1 (0.55) ALDH1A1ALOX15HSD17B10ESR1LMNA
SCHEMBL29377969 0.89 ALDH1A1 (0.61) ALDH1A1ALOX15HSD17B10ESR1LMNA
SCHEMBL122974 0.89 ALDH1A1 (0.61) ALDH1A1ALOX15HSD17B10ESR1LMNA
SCHEMBL29352462 0.89 ALDH1A1 (0.61) ALDH1A1ALOX15HSD17B10ESR1LMNA
SCHEMBL9244298 0.85 ALDH1A1 (0.43) ALDH1A1ALOX15HSD17B10ESR1LMNA
Biphenyl SCHEMBL29547085 0.82 ALDH1A1 (0.44) ALDH1A1ALOX15HSD17B10ESR1LMNA
SCHEMBL9617582 0.81 ALDH1A1 (0.64) ALDH1A1ALOX15HSD17B10ESR1LMNA
Bisphenol A SCHEMBL7744724 0.81 ALDH1A1 (0.64) ALDH1A1ALOX15HSD17B10ESR1LMNA

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-115244129-A Thermoplastic resin composition, method for producing same, and molded article comprising same 株式会社LG化学 2022-10-25 — — CN disclosed
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