SCHEMBL10891788

SCHEMBL10891788

CC(C)c1cc(O)cc(C(C)(C)C)c1Sc1c(C(C)C)cc(O)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP2C9 P11712 3/20 0.39
TYR P14679 2/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
MIF P14174 1/20 0.39
HTT P42858 1/20 0.39
NFE2L2 Q16236 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ATP2A2 P16615 1/20 0.37
ATP2A3 Q93084 1/20 0.37
GABRA1 P14867 5/20 0.35
GABRB2 P47870 3/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35

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
SCHEMBL9721890 0.78 CA2 (0.48) ALOX15ALDH1A1CYP2C9TYRNR1I2
SCHEMBL2327164 0.76 ALOX15 (0.46) ALOX15ALDH1A1CYP2C9TYRNR1I2
SCHEMBL9244951 0.73 ALDH1A1 (0.46) ALOX15ALDH1A1CYP2C9TYRNR1I2
SCHEMBL11449784 0.73 GABRA1 (0.42) ALOX15ALDH1A1CYP2C9TYRNR1I2
SCHEMBL5377400 0.72 ALDH1A1 (0.57) ALOX15ALDH1A1CYP2C9TYRNR1I2
Propofol SCHEMBL11596465 0.70 CA2 (0.61) ALOX15ALDH1A1CYP2C9TYRNR1I2
SCHEMBL18176646 0.69 ALDH1A1 (0.54) ALOX15ALDH1A1CYP2C9TYRNR1I2
SCHEMBL15894570 0.69 CA2 (0.48) ALOX15ALDH1A1CYP2C9TYRNR1I2
SCHEMBL24344601 0.68 CYP1A2 (0.38) CYP1A2GABRA1GABRB2CYP2D6
SCHEMBL3132119 0.68 HPN (0.50) ALOX15ALDH1A1CYP2C9TYRCYP1A2

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-4584146-A Tetrakis(2,6-di-t-butyl-4-substituted phenyl)4,4'-bisphenyl diphosphites THE B. F. GOODRICH COMPANY (US) 1986-04-22 US disclosed