SCHEMBL13824995

SCHEMBL13824995

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CPA3 P15088 1/20 0.57
▸ FFAR1 O14842 3/20 0.49
▸ PPARA Q07869 3/20 0.48
▸ PTGES O14684 1/20 0.48
▸ ALOX5 P09917 1/20 0.48
▸ PPARG P37231 1/20 0.48
▸ ITGB3 P05106 2/20 0.48
▸ ITGA2B P08514 2/20 0.48
▸ FOLH1 Q04609 5/20 0.47
▸ LMNA P02545 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PPARD Q03181 2/20 0.46
▸ PRSS1 P07477 1/20 0.42
▸ TMPRSS15 P98073 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
SCHEMBL13824952 0.94 CPA3 (0.60) CPA3FFAR1PPARAPTGESALOX5
SCHEMBL17537902 0.81 CPA3 (0.85) CPA3FOLH1
SCHEMBL16387610 0.80 ITGB3 (0.56) CPA3PPARAPTGESALOX5PPARG
SCHEMBL13570786 0.80 ITGB3 (0.60) PPARAPTGESALOX5PPARGITGB3
SCHEMBL16344110 0.80 ITGB3 (0.56) CPA3PPARAPTGESALOX5PPARG
SCHEMBL16387432 0.80 ITGB3 (0.56) CPA3PPARAPTGESALOX5PPARG
SCHEMBL16387596 0.80 ITGB3 (0.60) PPARAPTGESALOX5PPARGITGB3
SCHEMBL13570877 0.80 ITGB3 (0.56) CPA3PPARAPTGESALOX5PPARG
SCHEMBL16387425 0.80 ITGB3 (0.56) CPA3PPARAPTGESALOX5PPARG
SCHEMBL13571323 0.80 ITGB3 (0.60) PPARAPTGESALOX5PPARGITGB3

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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