SCHEMBL4686271

SCHEMBL4686271

CCCCCNC(=O)Nc1ccc(Oc2ccc(NC(=O)O)cc2)c(C(=O)NC)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
EPHX2 P34913 1/20 0.49
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
KDR P35968 1/20 0.46
PNLIP P16233 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL4685589 0.90 EPHX1 (0.50) EPHX1ALDH1A1HTTEPHX2PTPN2
SCHEMBL5151855 0.89 EPHX1 (0.47) EPHX1ALDH1A1HTTEPHX2KDR
SCHEMBL4686066 0.88 HDAC1 (0.49) EPHX1ALDH1A1HTTEPHX2PTPN2
SCHEMBL5150229 0.87 EPHX1 (0.49) EPHX1ALDH1A1HTTEPHX2KDR
SCHEMBL5149857 0.85 KDR (0.56) EPHX1ALDH1A1HTTEPHX2KDR
SCHEMBL4683716 0.85 KDR (0.56) EPHX1ALDH1A1HTTEPHX2KDR
SCHEMBL4687749 0.82 EPHX1 (0.49) EPHX1ALDH1A1HTTEPHX2KDR
SCHEMBL4682559 0.82 SLC6A3 (0.51) EPHX1ALDH1A1HTTEPHX2KDR
SCHEMBL4686268 0.82 PKM (0.53) ALDH1A1PTPN2PTPN1PNLIPKMT2A
SCHEMBL5149841 0.81 EPHX1 (0.50) EPHX1ALDH1A1HTTEPHX2PTPN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed