Sugi Predict

Sugi Predict / Compounds / SCHEMBL4787593

SCHEMBL4787593

SCHEMBL4787593

CCCCCNC(=O)Nc1cccc(Oc2ccc(N)cc2C)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 7/20 0.54
▸ PKM P14618 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ EPHX2 P34913 7/20 0.49
▸ KMT2A Q03164 1/20 0.48

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 0.88 EPHX2 (0.52) EPHX1ALDH1A1HTTEPHX2KMT2A
SCHEMBL4787348 0.86 EPHX2 (0.55) EPHX1ALDH1A1HTTEPHX2
SCHEMBL4786650 0.84 TBXA2R (0.61) KMT2A
SCHEMBL4786779 0.83 EPHX2 (0.52) EPHX1ALDH1A1HTTEPHX2KMT2A
SCHEMBL5184123 0.82 PKM (0.53) EPHX1PKMHSD17B10ALDH1A1HTT
SCHEMBL4783512 0.82 EPHX2 (0.49) EPHX2KMT2A
SCHEMBL4239097 0.81 PKM (0.45) PKMALDH1A1HTTKMT2A
SCHEMBL4787547 0.81 EPHX2 (0.49) EPHX1ALDH1A1HTTEPHX2
SCHEMBL5149593 0.80 PKM (0.58) EPHX1PKMHSD17B10ALDH1A1HTT
SCHEMBL9417395 0.79 EPHX1 (0.73) EPHX1ALDH1A1HTTEPHX2

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