SCHEMBL7948456

SCHEMBL7948456

CCC(C)(c1ccc(-c2ccc(O)cc2C(C)(C)C)c(C)c1)c1ccc(-c2ccc(O)cc2C(C)(C)C)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
TYR P14679 2/20 0.43
NR1I2 O75469 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C9 P11712 1/20 0.43
MIF P14174 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
NFE2L2 Q16236 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ESR1 P03372 12/20 0.41
ESR2 Q92731 11/20 0.41
AR P10275 2/20 0.38
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
ESRRB O95718 1/20 0.33
ESRRG P62508 1/20 0.33

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
SCHEMBL7946603 0.84 ESR1 (0.48) LMNATYRNR1I2ALDH1A1CYP2C9
SCHEMBL7858673 0.78 ALDH1A1 (0.67) LMNATYRNR1I2ALDH1A1CYP2C9
SCHEMBL30629387 0.78 ALDH1A1 (0.67) LMNATYRNR1I2ALDH1A1CYP2C9
SCHEMBL7948453 0.75 GABRA1 (0.42) LMNATYRNR1I2ALDH1A1CYP2C9
SCHEMBL14760222 0.72 ESR1 (0.69) ESR1ESR2AR
SCHEMBL2653465 0.72 ESR2 (0.55) LMNATYRNR1I2ALDH1A1CYP2C9
SCHEMBL10909749 0.72 ESR1 (0.69) ESR1ESR2AR
SCHEMBL11221254 0.72 ALDH1A1 (0.53) LMNATYRNR1I2ALDH1A1CYP2C9
SCHEMBL30596871 0.71 ESR1 (0.70) ESR1ESR2AR
SCHEMBL29499858 0.71 ESR1 (0.70) ESR1ESR2AR

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-6258498-B1 POLYCARBONATE PROTECTIVE COATING CANON KABUSHIKI KAISHA (JP) 2001-07-10 US disclosed