SCHEMBL4686909

SCHEMBL4686909

CCCCCNC(=O)Nc1ccc(Oc2ccc(C(N)=O)cc2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.55
HDAC2 Q92769 2/20 0.55
EPHX2 P34913 2/20 0.50
EPHX1 P07099 8/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 2/20 0.48
MGLL Q99685 1/20 0.47
KDR P35968 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
TBXA2R P21731 2/20 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
SCHEMBL4786969 0.87 EPHX2 (0.52) HDAC1HDAC2EPHX2EPHX1ALDH1A1
SCHEMBL4683604 0.87 MAPT (0.52) HDAC1HDAC2EPHX2EPHX1ALDH1A1
SCHEMBL4689241 0.86 HDAC1 (0.64) HDAC1HDAC2EPHX2EPHX1ALDH1A1
SCHEMBL4685424 0.86 HDAC1 (0.51) HDAC1HDAC2EPHX2EPHX1ALDH1A1
SCHEMBL4787348 0.85 EPHX2 (0.55) HDAC1HDAC2EPHX2EPHX1ALDH1A1
SCHEMBL4682919 0.84 HDAC1 (0.51) HDAC1HDAC2EPHX2EPHX1ALDH1A1
SCHEMBL4687419 0.84 MEN1 (0.56) HDAC1HDAC2EPHX2EPHX1ALDH1A1
SCHEMBL4686066 0.82 HDAC1 (0.49) HDAC1HDAC2EPHX2EPHX1ALDH1A1
SCHEMBL4787051 0.81 TBXA2R (0.62) MGLLMEN1GAAKMT2ATBXA2R
SCHEMBL4235398 0.81 PKM (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT

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