SCHEMBL8137802

SCHEMBL8137802

COC(=O)c1ccc(NC(C)=O)cc1C(=O)OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.75
CDK1 P06493 1/20 0.69
TDP1 Q9NUW8 2/20 0.65
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
LMNA P02545 3/20 0.53
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 4/20 0.50
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.47
GLA P06280 1/20 0.47
TNNI3 P19429 1/20 0.47

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
SCHEMBL5327455 0.86 SMN1; SMN2 (0.71) SMN1; SMN2CDK1TDP1MEN1KMT2A
SCHEMBL3363601 0.86 SMN1; SMN2 (0.76) SMN1; SMN2CDK1TDP1MEN1KMT2A
SCHEMBL18737818 0.86 SMN1; SMN2 (0.66) SMN1; SMN2CDK1TDP1MEN1KMT2A
SCHEMBL2127575 0.86 SMN1; SMN2 (1.00) SMN1; SMN2CDK1TDP1MEN1KMT2A
SCHEMBL6494762 0.84 SMN1; SMN2 (0.69) SMN1; SMN2CDK1TDP1MEN1KMT2A
SCHEMBL2555975 0.84 TDP1 (0.73) SMN1; SMN2CDK1TDP1MEN1KMT2A
SCHEMBL1917983 0.84 SMN1; SMN2 (0.64) SMN1; SMN2CDK1TDP1MEN1KMT2A
SCHEMBL7458280 0.84 SMN1; SMN2 (0.64) SMN1; SMN2CDK1TDP1MEN1KMT2A
SCHEMBL15598651 0.84 SMN1; SMN2 (0.69) SMN1; SMN2CDK1TDP1MEN1KMT2A
SCHEMBL11171029 0.84 SMN1; SMN2 (0.69) SMN1; SMN2CDK1TDP1KDM4EALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105833640-A Cage washing dust collector used in building and working method thereof 徐州工程学院 2016-08-10 CN claimed
CN-105833640-A Cage washing dust collector used in building and working method thereof 徐州工程学院 2016-08-10 CN disclosed
WO-2011005731-A2 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONIST MERCK SHARP & DOHME CORP. (US) 2011-01-13 WO disclosed
EP-0720601-B1 GASTRIN AND CCK RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2000-10-25 EP disclosed
US-5919829-A Gastrin and cck receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1999-07-06 US disclosed
US-5795907-A Gastin and CCK receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1998-08-18 US disclosed
EP-0720601-A1 GASTRIN AND CCK RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1996-07-10 EP disclosed
WO-1995004720-A2 GASTRIN AND CCK RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 1995-02-16 WO disclosed