SCHEMBL7124093

SCHEMBL7124093

CCCCCCCCCCCCSCCCC.Cc1cc(O)c(C(C)(C)C)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.46
TP53 P04637 3/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 2/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
ATP2A2 P16615 1/20 0.44
ATP2A3 Q93084 1/20 0.44
ESR1 P03372 6/20 0.37
ESR2 Q92731 4/20 0.37
TYR P14679 1/20 0.36

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
SCHEMBL3110996 0.85 ALOX15 (0.43) ALOX15TP53CYP2D6CYP2C9CYP2C19
SCHEMBL29358481 0.83 ALOX15 (0.42) ALOX15TP53CYP2D6CYP2C9CYP2C19
SCHEMBL29720565 0.83 ALOX15 (0.40) ALOX15TP53CYP2D6CYP2C9CYP2C19
SCHEMBL39145 0.83 ALOX15 (0.42) ALOX15TP53CYP2D6CYP2C9CYP2C19
SCHEMBL28340446 0.83 ALOX15 (0.42) ALOX15TP53CYP2D6CYP2C9CYP2C19
SCHEMBL28538796 0.82 ALOX5 (0.40) ALOX15TP53CYP2D6CYP2C9CYP2C19
SCHEMBL14856802 0.81 ALOX15 (0.43) ALOX15TP53CYP2D6CYP2C9CYP2C19
SCHEMBL11297701 0.81 ALOX15 (0.67) ALOX15TP53CYP2D6CYP2C9CYP2C19
Butane SCHEMBL4287055 0.81 ALOX15 (0.62) ALOX15TP53CYP2D6CYP2C9CYP2C19
Butane SCHEMBL7458157 0.81 ALOX15 (0.62) ALOX15TP53CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1360350-A1 THERMOPLASTIC COMPOSITIONS FOR THE PREPARATION OF FIBERS AND FILMS Dow Global Technologies Inc. (US) 2003-11-12 EP disclosed
WO-2002055768-A1 THERMOPLASTIC COMPOSITIONS FOR THE PREPARATION OF FIBERS AND FILMS DOW GLOBAL TECHNOLOGIES INC. (US) 2002-07-18 WO disclosed