SCHEMBL11036712

SCHEMBL11036712

COCCOCCOCC(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
ACE P12821 5/20 0.50
GPR34 Q9UPC5 2/20 0.50
FPR2 P25090 2/20 0.49
PSMB5 P28074 1/20 0.49
MME P08473 1/20 0.48
CPA1 P15085 1/20 0.48
CPA2 P48052 1/20 0.48
CPA4 Q9UI42 1/20 0.48

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
SCHEMBL20798174 0.99 L3MBTL1 (0.52) L3MBTL1ACEGPR34FPR2PSMB5
SCHEMBL20798175 0.99 L3MBTL1 (0.52) L3MBTL1ACEGPR34FPR2PSMB5
SCHEMBL11049924 0.91 ALDH1A1 (0.58)
SCHEMBL20798186 0.88 FOLH1 (0.52) ACEGPR34MMECPA1CPA2
SCHEMBL20798185 0.88 FOLH1 (0.52) ACEGPR34MMECPA1CPA2
SCHEMBL5489495 0.86 PSMB5 (0.62) L3MBTL1ACEGPR34FPR2PSMB5
SCHEMBL2247123 0.86 PSMB5 (0.62) L3MBTL1ACEGPR34FPR2PSMB5
SCHEMBL9223275 0.85 FAAH (0.57) ACE
SCHEMBL30737274 0.84 GPR34 (0.47) ACEGPR34FPR2MME
SCHEMBL23201777 0.83 PSMB5 (0.63) L3MBTL1ACEFPR2PSMB5

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-0144290-A2 Substituted ethylenediamine derivatives CIBA-GEIGY AG (CH) 1985-06-12 EP disclosed