SCHEMBL8986474

SCHEMBL8986474

COc1ccc(O)c(C(C)(C)C)c1.COc1ccc(O)c(C(C)(C)C)c1.C[Al]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
GAA P10253 3/20 0.69
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
ALOX15 P16050 3/20 0.53
LMNA P02545 2/20 0.53
NR1I2 O75469 1/20 0.53
CYP2C9 P11712 1/20 0.53
MIF P14174 1/20 0.53
TYR P14679 1/20 0.53
HTT P42858 1/20 0.53
NFE2L2 Q16236 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ESRRA P11474 2/20 0.53
MAPT P10636 3/20 0.50
POLB P06746 1/20 0.50
NR1H4 Q96RI1 4/20 0.49
ATM Q13315 2/20 0.49
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 2/20 0.48

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
SCHEMBL6142004 0.96 ALDH1A1 (0.73) ALDH1A1GAACA1CA2ALOX15
SCHEMBL29362042 0.96 ALDH1A1 (0.73) ALDH1A1GAACA1CA2ALOX15
SCHEMBL35535 0.96 ALDH1A1 (0.73) ALDH1A1GAACA1CA2ALOX15
SCHEMBL20548778 0.94 ALDH1A1 (0.71) ALDH1A1GAACA1CA2ALOX15
1-Hydroxy-3-Methoxybenzene SCHEMBL625269 0.90 ALDH1A1 (0.70) ALDH1A1GAACA1CA2ALOX15
SCHEMBL28222440 0.87 ALDH1A1 (0.63) ALDH1A1GAACA1CA2ALOX15
Acetic Acid SCHEMBL20548506 0.87 ALDH1A1 (0.63) ALDH1A1GAACA1CA2ALOX15
Mequinol SCHEMBL28106375 0.87 ALDH1A1 (0.67) ALDH1A1GAACA1CA2ALOX15
SCHEMBL9167807 0.85 ALDH1A1 (0.57) ALDH1A1GAACA1CA2ALOX15
Butylated Hydroxytoluene SCHEMBL8847112 0.84 CA2 (0.62) ALDH1A1GAACA1CA2ALOX15

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
EP-0510602-B1 Living polymerization method KANSAI PAINT CO LTD (JP) 1996-06-26 EP claimed