SCHEMBL1822244

SCHEMBL1822244

O=C(O)CCC(Cc1ccsc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 2/20 0.63
MME P08473 3/20 0.50
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
FOLH1 Q04609 6/20 0.46
NAALAD2 Q9Y3Q0 1/20 0.42
CYP1A2 P05177 1/20 0.42
CPA1 P15085 2/20 0.41
CPB1 P15086 1/20 0.41
CPB2 Q96IY4 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
SCHEMBL17537902 0.81 CPA3 (0.85) CPA3FOLH1NAALAD2CYP1A2CPA1
SCHEMBL4161654 0.80 MME (0.68) CPA3MMESLC1A3SLC1A2SLC1A1
SCHEMBL4161652 0.80 MME (0.68) CPA3MMESLC1A3SLC1A2SLC1A1
SCHEMBL5053223 0.79 GRM3 (0.56) FOLH1
SCHEMBL6037815 0.78 FOLH1 (0.50) FOLH1
SCHEMBL3963424 0.78 CPA3 (1.00) CPA3SLC1A3SLC1A2SLC1A1FOLH1
SCHEMBL29088272 0.78 CPA3 (1.00) CPA3SLC1A3SLC1A2SLC1A1FOLH1
SCHEMBL10805875 0.77 SLC1A3 (0.51) MMESLC1A3SLC1A2SLC1A1
SCHEMBL5053003 0.77 FOLH1 (0.54) FOLH1
SCHEMBL7613981 0.77 FOLH1 (0.49) CPA3FOLH1

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-2501416-A1 IODINE-LABELED HOMOGLUTAMIC ACID AND GLUTAMIC ACID DERIVATIVES Piramal Imaging SA (CH) 2012-09-26 EP disclosed
WO-2011061154-A1 IODINE-LABELED HOMOGLUTAMIC ACID AND GLUTAMIC ACID DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 WO disclosed