SCHEMBL7044011

SCHEMBL7044011

CCCCCc1c(O)cccc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.61
PTGS2 P35354 1/20 0.61
CNR1 P21554 6/20 0.51
CNR2 P34972 6/20 0.51
TP53 P04637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PPARA Q07869 1/20 0.50
SLC2A1 P11166 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL27894235 0.98 ALOX5 (0.59) ALOX5PTGS2CNR1CNR2TP53
SCHEMBL59744 0.95 ALOX5 (0.54) ALOX5PTGS2CNR1CNR2TP53
SCHEMBL31327375 0.95 ALOX5 (0.54) ALOX5PTGS2CNR1CNR2TP53
SCHEMBL7210174 0.93 ALOX5 (0.53) ALOX5PTGS2CNR1CNR2TP53
SCHEMBL17509802 0.90 ALOX5 (0.51) ALOX5PTGS2CNR1CNR2TP53
SCHEMBL23143319 0.89 ALOX5 (0.49) ALOX5PTGS2CNR1CNR2TP53
SCHEMBL1400620 0.87 TP53 (0.55) ALOX5PTGS2CNR1CNR2TP53
SCHEMBL31613792 0.87 TP53 (0.55) ALOX5PTGS2CNR1CNR2TP53
SCHEMBL9814058 0.87 ALOX5 (0.61) ALOX5PTGS2PPARASLC2A1ELANE
SCHEMBL4538245 0.86 ALOX5 (0.47) ALOX5PTGS2CNR1CNR2TP53

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
WO-2004071194-A2 ENHANCING THE FRAGRANCE OF AN ARTICLE UNIVERSITY OF FLORIDA (US) 2004-08-26 WO disclosed