SCHEMBL4965162

SCHEMBL4965162

CCN(CC(=O)Cc1ccc(OCc2ccccc2C(=O)O)cc1)Cc1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.48
LPAR5 Q9H1C0 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
MAOB P27338 5/20 0.44
SCN9A Q15858 1/20 0.41
ALOX5 P09917 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41
SCN3A Q9NY46 1/20 0.41
GYS1 P13807 1/20 0.39
PTPN1 P18031 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
SCHEMBL4629897 0.84 LPAR1 (0.53) LPAR1LPAR5MAOBSCN9AALOX5
Tert-Butylamine SCHEMBL5309305 0.80 LPAR1 (0.49) LPAR1LPAR5MAOBSCN9AALOX5
SCHEMBL4630536 0.78 LPAR1 (0.51) LPAR1LPAR5MAOBPTPN1
SCHEMBL3997798 0.77 TRPM8 (0.52) LPAR1LPAR5MAOBPARP15PARP14
Amantadine SCHEMBL5313198 0.74 LPAR1 (0.43) LPAR1LPAR5MAOBSCN9AALOX5
SCHEMBL4629905 0.74 LPAR1 (0.46) LPAR1LPAR5MAOBSCN9AALOX5
SCHEMBL2552269 0.74 FOLH1 (0.53) ALOX5PTPN1
SCHEMBL5989548 0.74 RXRA (0.59) L3MBTL1PTPN1
Methane SCHEMBL10567951 0.73 FOLH1 (0.52) ALOX5PTPN1
SCHEMBL4430140 0.72 NPC1 (0.52) ALOX5

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-1517883-B1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2008-02-13 EP claimed