SCHEMBL5149841

SCHEMBL5149841

CCCCCNC(=O)Nc1ccc(Oc2ccc(N)cc2)c(C(=O)NCC)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.50
EPHX2 P34913 1/20 0.47
PTPN1 P18031 1/20 0.46
HTR2A P28223 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
PNLIP P16233 1/20 0.44
KDR P35968 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43

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 0.92 EPHX1 (0.50) EPHX1EPHX2PTPN1ALDH1A1HTT
SCHEMBL5148205 0.91 EPHX1 (0.47) EPHX1EPHX2PTPN1HTR2AALDH1A1
SCHEMBL5149417 0.89 EPHX1 (0.52) EPHX1EPHX2ALDH1A1HTTPNLIP
SCHEMBL4787348 0.86 EPHX2 (0.55) EPHX1EPHX2ALDH1A1HTTKDR
SCHEMBL4785993 0.86 EPHX1 (0.53) EPHX1EPHX2ALDH1A1HTTKDR
SCHEMBL4783970 0.85 EPHX2 (0.60) EPHX1EPHX2ALDH1A1HTTPNLIP
SCHEMBL4786912 0.85 KDR (0.54) EPHX1EPHX2ALDH1A1HTTKDR
SCHEMBL4787105 0.85 EPHX1 (0.52) EPHX1EPHX2ALDH1A1HTTKDR
SCHEMBL4786099 0.85 EPHX1 (0.52) EPHX1EPHX2ALDH1A1HTTKDR
SCHEMBL4787476 0.85 EPHX1 (0.52) EPHX1EPHX2ALDH1A1HTTKDR

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-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed