SCHEMBL7608616

SCHEMBL7608616

O=C(O)CCC(CCN(O)C(=O)Cc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.56
ALOX5 P09917 8/20 0.50
KDM4A O75164 2/20 0.46
KDM4C Q9H3R0 2/20 0.46
KDM5A P29375 1/20 0.46
PHF8 Q9UPP1 1/20 0.46
KDM2A Q9Y2K7 1/20 0.46
FOLH1 Q04609 1/20 0.45
NAALAD2 Q9Y3Q0 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL1374778 0.87 CPA3 (0.58) CPA3ALOX5FOLH1NAALAD2CYP1A2
SCHEMBL31379023 0.79 ALOX5 (0.56) CPA3ALOX5KDM4AKDM4CKDM5A
SCHEMBL31379020 0.77 ALOX5 (0.61) CPA3ALOX5KDM4AKDM4CKDM5A
SCHEMBL2368373 0.76 CPA3 (0.55) CPA3FOLH1NAALAD2CYP1A2
SCHEMBL1374305 0.75 CPA3 (0.58) CPA3ALOX5KDM4AKDM4CFOLH1
SCHEMBL7604450 0.75 FOLH1 (0.47) KDM4AKDM4CPHF8KDM2AFOLH1
SCHEMBL7350860 0.75 CPA3 (0.71) CPA3FOLH1CYP1A2
SCHEMBL1373532 0.74 CPA3 (0.56) CPA3ALOX5KDM4AKDM4CKDM5A
SCHEMBL3963424 0.73 CPA3 (1.00) CPA3FOLH1NAALAD2CYP1A2
SCHEMBL29088272 0.73 CPA3 (1.00) CPA3FOLH1NAALAD2CYP1A2

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
JP-2002514185-A 2002-05-14 JP claimed
EP-0949922-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-10-20 EP claimed
WO-1998013044-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO claimed