SCHEMBL4683265

SCHEMBL4683265

CCCCCNC(=O)Nc1ccc(Oc2ccc(NC(=O)O)c(F)c2)c(OCC)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.46
KMT2A Q03164 1/20 0.45
EPHX2 P34913 2/20 0.45
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
FLT1 P17948 2/20 0.41
KDR P35968 2/20 0.41
TBXA2R P21731 1/20 0.41
MCHR1 Q99705 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
SCHEMBL4688997 0.89 EPHX2 (0.55) EPHX1KMT2AEPHX2RAB9ANPC1
SCHEMBL4784128 0.87 EPHX1 (0.47) EPHX1KMT2AEPHX2MAPTSMN1; SMN2
SCHEMBL4686265 0.85 EPHX1 (0.46) EPHX1KMT2AEPHX2ALDH1A1HTT
SCHEMBL4683259 0.84 PKM (0.49) KMT2ARAB9AMAPTNPC1PKM
SCHEMBL4787476 0.81 EPHX1 (0.52) EPHX1KMT2AEPHX2MAPTALDH1A1
SCHEMBL4787221 0.81 EPHX1 (0.52) EPHX1KMT2AEPHX2MAPTALDH1A1
SCHEMBL4786697 0.80 EPHX1 (0.48) EPHX1KMT2AEPHX2ALDH1A1HTT
SCHEMBL4682919 0.79 HDAC1 (0.51) EPHX1KMT2AEPHX2RAB9AMAPT
SCHEMBL5149857 0.79 KDR (0.56) EPHX1KMT2AEPHX2MAPTPKM
SCHEMBL4683716 0.79 KDR (0.56) EPHX1KMT2AEPHX2MAPTPKM

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 2 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-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed