SCHEMBL9719341

SCHEMBL9719341

CC(C)(C)c1cc(C(C)(C)c2ccc(O)c(C(C)(C)C)c2)ccc1O.CCC(C)(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
HSD17B10 Q99714 2/20 0.53
LMNA P02545 2/20 0.53
TYR P14679 2/20 0.53
ALOX15 P16050 2/20 0.53
NR1I2 O75469 1/20 0.53
CYP2C9 P11712 1/20 0.53
MIF P14174 1/20 0.53
HTT P42858 1/20 0.53
NFE2L2 Q16236 1/20 0.53
ESR1 P03372 11/20 0.46
ESR2 Q92731 8/20 0.46
CYP3A4 P08684 3/20 0.46
AR P10275 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR6 P50406 1/20 0.46
ESRRG P62508 1/20 0.46

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
SCHEMBL29515859 0.87 ALDH1A1 (0.64) ALDH1A1HSD17B10LMNATYRALOX15
Bisphenol A SCHEMBL7744724 0.87 ALDH1A1 (0.64) ALDH1A1HSD17B10LMNATYRALOX15
SCHEMBL11221254 0.87 ALDH1A1 (0.53) ALDH1A1HSD17B10LMNATYRALOX15
SCHEMBL9617582 0.87 ALDH1A1 (0.64) ALDH1A1HSD17B10LMNATYRALOX15
SCHEMBL2413114 0.84 ESR1 (0.67) ALDH1A1HSD17B10ESR1ESR2CYP3A4
SCHEMBL29352462 0.83 ALDH1A1 (0.61) ALDH1A1HSD17B10LMNATYRALOX15
SCHEMBL122974 0.83 ALDH1A1 (0.61) ALDH1A1HSD17B10LMNATYRALOX15
SCHEMBL29377969 0.83 ALDH1A1 (0.61) ALDH1A1HSD17B10LMNATYRALOX15
Bisphenol A SCHEMBL674171 0.81 ESR1 (0.70) ALDH1A1HSD17B10LMNATYRESR1
SCHEMBL68287 0.79 ESR1 (0.62) ALDH1A1HSD17B10LMNATYRESR1

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
US-5091356-A Comprising a substrate, a foamed dispersion layer of a self-emulsifiable resin, and a thermosensitive coloring layer containing a developer; stability; colorfastness; intensity KAO CORPORATION (JP) 1992-02-25 US disclosed