SCHEMBL7621137

SCHEMBL7621137

CCCC(CCc1cccc(OCc2ccccc2)c1)(C(=O)O)C(=O)OC(C)CC.ICCc1cccc(OCc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
FFAR1 O14842 2/20 0.41
ALOX5 P09917 1/20 0.41
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
BCHE P06276 4/20 0.40
CYP2D6 P10635 1/20 0.40
PTGES O14684 1/20 0.40
MAOB P27338 1/20 0.39
NR4A2 P43354 1/20 0.38
SLC13A5 Q86YT5 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 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
SCHEMBL7713977 0.95 CYP4F2 (0.45) LTB4RLTB4R2CYP4F2CYP4A11FFAR1
SCHEMBL7622718 0.87 LTB4R (0.44) LTB4RLTB4R2CYP4F2CYP4A11FFAR1
SCHEMBL7616402 0.84 MAPT (0.41) SLC13A5
SCHEMBL7621132 0.82 LTB4R (0.47) LTB4RLTB4R2CYP4F2CYP4A11FFAR1
SCHEMBL7708014 0.81 CYP4F2 (0.47) LTB4RLTB4R2CYP4F2CYP4A11FFAR1
SCHEMBL7708036 0.81 CYP4F2 (0.49) LTB4RLTB4R2CYP4F2CYP4A11FFAR1
SCHEMBL7713972 0.77 CYP4F2 (0.51) LTB4RLTB4R2CYP4F2CYP4A11FFAR1
SCHEMBL7622711 0.74 LTB4R (0.49) LTB4RLTB4R2CYP4F2CYP4A11FFAR1
SCHEMBL8491129 0.73 OPRM1 (0.39) ALDH1A1
SCHEMBL7625472 0.72 CYP2D6 (0.42) LTB4RLTB4R2CYP4F2CYP4A11FFAR1

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-0778263-B1 BENZENE COMPOUND AND MEDICINAL USE THEREOF WELFIDE CORP (JP) 2002-01-09 EP disclosed