SCHEMBL13639612

SCHEMBL13639612

N[C@@H](C[C@@H](Cc1ccc(OCCCF)cc1)C(=O)O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 6/20 0.60
▸ ITGA2B P08514 6/20 0.60
▸ SLC1A1 P43005 2/20 0.58
▸ SLC1A3 P43003 1/20 0.58
▸ SLC1A2 P43004 1/20 0.58
▸ PTPN1 P18031 1/20 0.45
▸ GRIK1 P39086 2/20 0.44
▸ PPARA Q07869 4/20 0.42
▸ PPARG P37231 3/20 0.42
▸ PTGES O14684 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ PPARD Q03181 3/20 0.42
▸ GRM2 Q14416 1/20 0.41
▸ GRM3 Q14832 1/20 0.41
▸ GRIK2 Q13002 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
SCHEMBL13571323 1.00 ITGB3 (0.60) ITGB3ITGA2BSLC1A1SLC1A3SLC1A2
SCHEMBL13571040 1.00 ITGB3 (0.60) ITGB3ITGA2BSLC1A1SLC1A3SLC1A2
SCHEMBL13570786 1.00 ITGB3 (0.60) ITGB3ITGA2BSLC1A1SLC1A3SLC1A2
SCHEMBL13571039 1.00 ITGB3 (0.60) ITGB3ITGA2BSLC1A1SLC1A3SLC1A2
SCHEMBL16387427 1.00 ITGB3 (0.60) ITGB3ITGA2BSLC1A1SLC1A3SLC1A2
SCHEMBL16387596 1.00 ITGB3 (0.60) ITGB3ITGA2BSLC1A1SLC1A3SLC1A2
SCHEMBL16387597 0.93 SLC1A1 (0.60) ITGB3ITGA2BSLC1A1SLC1A3SLC1A2
SCHEMBL13571195 0.93 SLC1A1 (0.60) ITGB3ITGA2BSLC1A1SLC1A3SLC1A2
SCHEMBL13570704 0.93 SLC1A1 (0.60) ITGB3ITGA2BSLC1A1SLC1A3SLC1A2
SCHEMBL16387429 0.93 SLC1A1 (0.60) ITGB3ITGA2BSLC1A1SLC1A3SLC1A2

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-2520556-A1 Radiolabeled amino acids for diagnostic imaging Bayer Pharma Aktiengesellschaft (DE) 2012-11-07 — — EP disclosed
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