SCHEMBL13824952

SCHEMBL13824952

O=C(O)CC[C@@H](Cc1ccc(OCCF)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CPA3 P15088 1/20 0.60
▸ FFAR1 O14842 4/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ FOLH1 Q04609 4/20 0.48
▸ PPARA Q07869 2/20 0.47
▸ PTGES O14684 1/20 0.47
▸ ALOX5 P09917 1/20 0.47
▸ PPARG P37231 1/20 0.47
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ PPARD Q03181 1/20 0.45
▸ PRSS1 P07477 1/20 0.44
▸ TMPRSS15 P98073 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.42

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
SCHEMBL13824995 0.94 CPA3 (0.57) CPA3FFAR1L3MBTL1LMNAFOLH1
SCHEMBL16387611 0.85 ITGB3 (0.56) CPA3PPARAPTGESALOX5PPARG
SCHEMBL13571111 0.85 ITGB3 (0.56) CPA3PPARAPTGESALOX5PPARG
SCHEMBL13571275 0.85 ITGB3 (0.56) CPA3PPARAPTGESALOX5PPARG
SCHEMBL16387425 0.85 ITGB3 (0.56) CPA3PPARAPTGESALOX5PPARG
SCHEMBL16387610 0.85 ITGB3 (0.56) CPA3PPARAPTGESALOX5PPARG
SCHEMBL16387432 0.85 ITGB3 (0.56) CPA3PPARAPTGESALOX5PPARG
SCHEMBL16344110 0.85 ITGB3 (0.56) CPA3PPARAPTGESALOX5PPARG
SCHEMBL13570877 0.85 ITGB3 (0.56) CPA3PPARAPTGESALOX5PPARG
SCHEMBL16343355 0.85 ITGB3 (0.56) CPA3PPARAPTGESALOX5PPARG

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
WO-2012150220-A1 RADIOLABELED AMINO ACIDS FOR DIAGNOSTIC IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-11-08 — — WO disclosed
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