SCHEMBL6586201

SCHEMBL6586201

COc1ccc(C(C)O)cc1NC(=CC(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.41
KMT2A Q03164 9/20 0.41
MEN1 O00255 8/20 0.41
NPSR1 Q6W5P4 3/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPT P10636 3/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6587740 0.81 MEN1 (0.57) KMT2AMEN1ALDH1A1L3MBTL1TP53
SCHEMBL6587736 0.81 MEN1 (0.57) KMT2AMEN1ALDH1A1L3MBTL1TP53
SCHEMBL6587809 0.80 KMT2A (0.48) CREBBPKMT2AMEN1NPSR1ALDH1A1
SCHEMBL6587807 0.80 KMT2A (0.48) CREBBPKMT2AMEN1NPSR1ALDH1A1
SCHEMBL6585742 0.73 EPHX1 (0.53) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL6587522 0.73 EPHX1 (0.53) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL6587300 0.72 LPAR1 (0.49) KMT2AMEN1NPSR1ALDH1A1L3MBTL1
SCHEMBL6587301 0.72 LPAR1 (0.49) KMT2AMEN1NPSR1ALDH1A1L3MBTL1
SCHEMBL6080904 0.72 MEN1 (0.56) KMT2AMEN1ALDH1A1L3MBTL1TP53
SCHEMBL6585904 0.71 ALDH1A1 (0.48) NPSR1ALDH1A1GAAMAPTNPC1

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-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO disclosed