SCHEMBL5149593

SCHEMBL5149593

CCCCCNC(=O)Nc1ccc(Oc2cccc(NC(=O)O)c2)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.58
HSD17B10 Q99714 1/20 0.58
KMT2A Q03164 1/20 0.55
EPHX1 P07099 7/20 0.53
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
POLB P06746 1/20 0.51
MCHR1 Q99705 1/20 0.49
EPHX2 P34913 4/20 0.48
CASR P41180 1/20 0.48
QPCT Q16769 2/20 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
SCHEMBL4683716 0.91 KDR (0.56) PKMHSD17B10KMT2AEPHX1ALDH1A1
SCHEMBL5149857 0.91 KDR (0.56) PKMHSD17B10KMT2AEPHX1ALDH1A1
SCHEMBL5184123 0.88 PKM (0.53) PKMHSD17B10KMT2AEPHX1ALDH1A1
SCHEMBL14338677 0.82 EPHX1 (0.62) KMT2AEPHX1ALDH1A1HTTPOLB
SCHEMBL4683734 0.82 KDR (0.56) PKMHSD17B10KMT2AEPHX1ALDH1A1
SCHEMBL4787374 0.82 KDR (0.54) PKMHSD17B10KMT2AEPHX1ALDH1A1
SCHEMBL4786912 0.82 KDR (0.54) PKMHSD17B10KMT2AEPHX1ALDH1A1
SCHEMBL5149580 0.81 PKM (0.53) PKMKMT2AALDH1A1
SCHEMBL4687419 0.80 MEN1 (0.56) PKMHSD17B10KMT2AEPHX1ALDH1A1
SCHEMBL4787593 0.80 EPHX1 (0.54) PKMHSD17B10KMT2AEPHX1ALDH1A1

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