SCHEMBL11030441

SCHEMBL11030441

CCCCCCCCCCCCCCCCCC(C)(C)c1cc(CO)cc(C(C)(C)CCCCCCCCCCCCCCCCC)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 17/20 0.43
CNR2 P34972 17/20 0.43
MEN1 O00255 1/20 0.38
GMNN O75496 1/20 0.38
GABBR2 O75899 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL11028196 1.00 CNR1 (0.43) CNR1CNR2MEN1GMNNGABBR2
SCHEMBL11025171 0.98 CNR1 (0.40) CNR1CNR2MEN1GMNNGABBR2
SCHEMBL11405013 0.87 CNR1 (0.39) CNR1CNR2MEN1GMNNGABBR2
SCHEMBL11027894 0.86 ALDH1A1 (0.42) CNR1CNR2MEN1GMNNGABBR2
SCHEMBL2338151 0.85 PTGS2 (0.43) CNR1CNR2ALDH1A1LMNACYP3A4
SCHEMBL10885993 0.84 CNR1 (0.45) CNR1CNR2CYP3A4
SCHEMBL5412249 0.83 CNR1 (0.39) CNR1CNR2MEN1GMNNGABBR2
SCHEMBL1837916 0.83 CNR2 (0.55) CNR1CNR2
SCHEMBL1836711 0.83 CNR2 (0.55) CNR1CNR2
SCHEMBL1839235 0.83 CNR2 (0.55) CNR1CNR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0065289-B1 PROCESS FOR THE SYNTHESIS OF TRIALKYL-TRIS(3,5-DIALKYL-4-HYDROXYBENZYL) BENZENE ETHYL CORPORATION (US) 1985-01-23 EP disclosed
EP-0065289-A1 Process for the synthesis of trialkyl-tris(3,5-dialkyl-4-hydroxybenzyl) benzene ETHYL CORPORATION (US) 1982-11-24 EP disclosed
US-4340767-A AND A CARBOXYLIC ACID IN THE REACTION MEDIUM OF A TRIALKYLBENZENE AND 3,5-DIALKYL-4-HYDROXY BENZYL ALCOHOL ETHYL CORPORATION (US) 1982-07-20 US disclosed