SCHEMBL17758698

SCHEMBL17758698

CCCC(C)(C)c1ccc(O)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 4/20 0.44
HTT P42858 3/20 0.44
ALOX15 P16050 3/20 0.44
ALDH1A1 P00352 2/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.44
MIF P14174 1/20 0.44
NFE2L2 Q16236 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ESR1 P03372 7/20 0.43
ESR2 Q92731 5/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX5 P09917 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL11115405 0.89 TYR (0.49) TYRHTTALOX15ALDH1A1NR1I2
SCHEMBL2946516 0.87 TYR (0.49) TYRHTTALOX15ESR1ESR2
SCHEMBL27946117 0.85 TYR (0.44) TYRHTTALOX15ALDH1A1NR1I2
SCHEMBL4385711 0.85 TYR (0.59) TYRHTTALOX15ALDH1A1NR1I2
SCHEMBL3435872 0.84 TYR (0.47) TYRHTTALOX15ALDH1A1NR1I2
SCHEMBL30893101 0.83 CNR1 (0.48) ALOX15ALDH1A1LMNACYP2C9ESR1
SCHEMBL18704832 0.83 ESR1 (0.42) TYRHTTALOX15ALDH1A1NR1I2
SCHEMBL31553273 0.83 ESR1 (0.42) TYRHTTALOX15ALDH1A1NR1I2
SCHEMBL17722810 0.82 TYR (0.43) TYRHTTALOX15ALDH1A1NR1I2
SCHEMBL23095159 0.81 ESR1 (0.45) TYRHTTALOX15ALDH1A1NR1I2

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-20160137771-A1 COMPOUND CONTAINING PHENOLIC HYDROXYL GROUP, PHENOLIC RESIN, CURABLE COMPOSITION, CURED PRODUCT THEREOF, SEMICONDUCTOR SEALING MATERIAL, AND PRINTED CIRCUIT BOARD DIC CORPORATION (JP) 2016-05-19 US disclosed