SCHEMBL14923017

SCHEMBL14923017

Nc1cccc(CC(I)C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
CPN1 P15169 1/20 0.45
CPB2 Q96IY4 1/20 0.45
GRM2 Q14416 1/20 0.43
GRM3 Q14832 1/20 0.43
SLC1A1 P43005 2/20 0.42
GRIA2 P42262 1/20 0.42
SLC7A5 Q01650 2/20 0.42
CYP19A1 P11511 1/20 0.42
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
PBRM1 Q86U86 1/20 0.41
DDX3X O00571 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
SCHEMBL755879 0.81 KDM6B (0.54) MAOAMAOBCPN1CPB2SLC1A1
SCHEMBL385392 0.81 SLC7A5 (0.67) GRIA2SLC7A5ALPIPKMPTGS1
SCHEMBL288636 0.81 SLC7A5 (0.67) GRIA2SLC7A5ALPIPKMPTGS1
SCHEMBL29475725 0.81 SLC7A5 (0.67) GRIA2SLC7A5ALPIPKMPTGS1
SCHEMBL288729 0.81 SLC7A5 (0.67) GRIA2SLC7A5ALPIPKMPTGS1
SCHEMBL1067198 0.79 PLA2G10 (0.50) MAOAMAOBCPN1CPB2SLC7A5
SCHEMBL1567341 0.79 CYP1A2 (0.61) CPB2SLC1A1SLC7A5ALPIPKM
SCHEMBL17022224 0.79 CYP1A2 (0.61) CPB2SLC1A1SLC7A5ALPIPKM
SCHEMBL22863218 0.79 CYP1A2 (0.61) CPB2SLC1A1SLC7A5ALPIPKM
SCHEMBL11829249 0.77 SLC1A1 (0.50) MAOAMAOBCPN1CPB2SLC1A1

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-1910270-B1 COMPOUNDS AND THEIR SALTS SPECIFIC TO THE PPAR RECEPTORS AND THE EGF RECEPTORS AND THEIR USE IN THE MEDICAL FIELD NOGRA PHARMA LTD (IE) 2013-05-08 EP disclosed