SCHEMBL17444831

SCHEMBL17444831

CC(=O)C(N)CCC(Cc1ccc(OCC[18F])cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 5/20 0.53
▸ ITGA2B P08514 5/20 0.53
▸ PPARA Q07869 5/20 0.45
▸ PPARG P37231 4/20 0.45
▸ PTGES O14684 2/20 0.45
▸ ALOX5 P09917 2/20 0.45
▸ PPARD Q03181 4/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PTPN1 P18031 1/20 0.42
▸ TSPO P30536 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CPA3 P15088 1/20 0.40
▸ SLC1A3 P43003 1/20 0.39
▸ SLC1A2 P43004 1/20 0.39
▸ SLC1A1 P43005 1/20 0.39

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
SCHEMBL16387449 1.00 ITGB3 (0.53) ITGB3ITGA2BPPARAPPARGPTGES
SCHEMBL16387603 1.00 ITGB3 (0.53) ITGB3ITGA2BPPARAPPARGPTGES
SCHEMBL16387511 1.00 ITGB3 (0.53) ITGB3ITGA2BPPARAPPARGPTGES
SCHEMBL16387489 1.00 ITGB3 (0.53) ITGB3ITGA2BPPARAPPARGPTGES
SCHEMBL16387508 1.00 ITGB3 (0.53) ITGB3ITGA2BPPARAPPARGPTGES
SCHEMBL16387452 1.00 ITGB3 (0.53) ITGB3ITGA2BPPARAPPARGPTGES
SCHEMBL16387501 1.00 ITGB3 (0.53) ITGB3ITGA2BPPARAPPARGPTGES
SCHEMBL16387546 1.00 ITGB3 (0.53) ITGB3ITGA2BPPARAPPARGPTGES
SCHEMBL16387516 1.00 ITGB3 (0.53) ITGB3ITGA2BPPARAPPARGPTGES
SCHEMBL13570877 0.91 ITGB3 (0.56) ITGB3ITGA2BPPARAPPARGPTGES

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
US-9238631-B2 Radiolabeled amino acids for diagnostic imaging PIRAMAL IMAGING SA (CH) 2016-01-19 — — US disclosed
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