SCHEMBL5497372

SCHEMBL5497372

CC(CCCc1ccccc1)(C(=O)O)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.48
EPHX2 P34913 1/20 0.47
TBXAS1 P24557 9/20 0.47
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 1/20 0.44
LMNA P02545 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL28743205 0.85 ALDH1A1 (0.44) KCNA5EPHX2TBXAS1LMNATDP1
SCHEMBL8461392 0.81 CYP1A2 (0.49) KCNA5TBXAS1CYP1A2CYP3A4CYP2C9
SCHEMBL10512019 0.81 CYP1A2 (0.49) KCNA5TBXAS1CYP1A2CYP3A4CYP2C9
SCHEMBL4205851 0.81 KCNA5 (0.45) KCNA5EPHX2TBXAS1CYP1A2CYP3A4
SCHEMBL10424313 0.80 LTB4R (0.50) SMN1; SMN2
SCHEMBL9826864 0.80 TBXAS1 (0.53) TBXAS1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9826871 0.80 TBXAS1 (0.53) TBXAS1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6178344 0.78 CYP1A2 (0.51) KCNA5TBXAS1CYP1A2CYP3A4CYP2C9
SCHEMBL8503461 0.77 TBXAS1 (0.59) TBXAS1TDP1
SCHEMBL22775934 0.77 CYP1A2 (0.50) KCNA5TBXAS1CYP1A2CYP3A4CYP2C9

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-1856063-A1 5-PHENYL-PENTANOIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FOR THE TREATMENT OF ASTHMA AND OTHER DISEASES Ranbaxy Laboratories Limited (IN) 2007-11-21 EP claimed
WO-2006090235-A1 5-PHENYL-PENTANOIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FOR THE TREATMENT OF ASTHMA AND OTHER DISEASES RANBAXY LABORATORIES LIMITED (IN) 2006-08-31 WO claimed