SCHEMBL9219906

SCHEMBL9219906

CCOC(=O)c1ccc(-c2ccco2)nc1C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 10/20 0.51
KDM4E B2RXH2 6/20 0.51
POLB P06746 6/20 0.51
HPGD P15428 5/20 0.51
HSD17B10 Q99714 4/20 0.51
MAPT P10636 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 2/20 0.51
USP2 O75604 2/20 0.51
TSHR P16473 2/20 0.51
GLA P06280 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PKM P14618 2/20 0.50
ADORA3 P0DMS8 7/20 0.49
ADORA2A P29274 7/20 0.49
ADORA1 P30542 7/20 0.49

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
SCHEMBL9784691 0.78 KDM4E (0.55) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3713561 0.75 ALDH1A1 (0.55) L3MBTL1ALDH1A1KDM4EPOLBHPGD
SCHEMBL3331112 0.75 UBE2I (0.78) L3MBTL1ALDH1A1KDM4EPOLBHPGD
SCHEMBL30864197 0.75 ALDH1A1 (0.63) ALDH1A1KDM4EPOLBHPGDHSD17B10
SCHEMBL1677347 0.75 L3MBTL1 (0.56) L3MBTL1ALDH1A1KDM4EPOLBHPGD
SCHEMBL28295524 0.75 TARBP2 (0.62) L3MBTL1ALDH1A1KDM4EPOLBHPGD
SCHEMBL3715082 0.74 ALDH1A1 (0.52) L3MBTL1ALDH1A1KDM4EPOLBHPGD
SCHEMBL9308330 0.74 TSHR (0.53) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL14255689 0.73 TSHR (0.59) L3MBTL1ALDH1A1KDM4EPOLBHSD17B10
SCHEMBL3719963 0.73 ALDH1A1 (0.56) L3MBTL1ALDH1A1KDM4EPOLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0254951-B1 5(and/or 6)substituted 2-(2-imidazolin-2-yl)nicotinic acids, esters and salts, useful as herbicidal agents and intermediates for the preparation of said nicotinic acids, esters and salts AMERICAN CYANAMID CO (US) 1995-09-20 EP disclosed
US-5334576-A Pre- and postemergence AMERICAN CYANAMID COMPANY (US) 1994-08-02 US disclosed
EP-0254951-A2 5(and/or 6)substituted 2-(2-imidazolin-2-yl)nicotinic acids, esters and salts, useful as herbicidal agents and intermediates for the preparation of said nicotinic acids, esters and salts AMERICAN CYANAMID COMPANY (US) 1988-02-03 EP disclosed