SCHEMBL9305635

SCHEMBL9305635

C=Cc1ccc(O)c(C(C)(C)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.44
ESR1 P03372 6/20 0.42
ESR2 Q92731 5/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 1/20 0.42
CNR1 P21554 4/20 0.39
CNR2 P34972 4/20 0.39
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
RARG P13631 1/20 0.35
NR1I2 O75469 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
MIF P14174 1/20 0.34
TYR P14679 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
NFE2L2 Q16236 1/20 0.34

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
SCHEMBL666188 0.79 ALDH1A1 (0.55) TRPA1ESR1ESR2ALDH1A1CYP3A4
SCHEMBL29490659 0.78 ESR1 (0.59) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL123763 0.78 ESR1 (0.59) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL9278716 0.78 ESR2 (0.48) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL745012 0.78 ESR1 (0.59) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL29547368 0.78 ESR1 (0.59) ESR1ESR2ALDH1A1CYP3A4CNR1
Vinyl Ether SCHEMBL5025774 0.77 ESR1 (0.46) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL7761035 0.77 ESR1 (0.56) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL11205966 0.76 ALDH1A1 (0.53) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL3688880 0.76 CNR1 (0.51) TRPA1ESR1ESR2ALDH1A1CYP3A4

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
US-5376498-A Blend of an alkali-soluble resin, compound that generates an acid upon irradiation, functional aromatic compound and a phenolic compound JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1994-12-27 US disclosed
EP-0542572-A1 Negative type radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1993-05-19 EP disclosed