SCHEMBL5697299

SCHEMBL5697299

O=C(O)C(=O)Nc1ccccc1NC(=O)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.68
PTPN1 P18031 7/20 0.57
PTPN11 Q06124 1/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
PTPN2 P17706 3/20 0.53
PTPRF P10586 2/20 0.53
PTPRC P08575 2/20 0.53
PTPRB P23467 2/20 0.53
PTPRE P23469 2/20 0.53
PTPN6 P29350 2/20 0.53
ALDH1A1 P00352 1/20 0.50
RECQL P46063 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PTPRA P18433 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
SCHEMBL11442439 0.88 GPR35 (0.61) GPR35PTPN1PTPN11NPC1RAB9A
SCHEMBL30852954 0.84 RAB9A (0.80) GPR35NPC1RAB9AALDH1A1RECQL
SCHEMBL30583240 0.84 PTPN1 (0.64) GPR35PTPN1PTPN2PTPRCPTPRB
SCHEMBL4315667 0.84 PTPN1 (0.64) GPR35PTPN1PTPN2PTPRCPTPRB
SCHEMBL440095 0.84 RAB9A (0.67) GPR35NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3723177 0.84 RAB9A (0.80) GPR35NPC1RAB9AALDH1A1RECQL
SCHEMBL8645476 0.84 GPR35 (0.68) GPR35NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11048016 0.84 HDAC3 (0.63) GPR35PTPN1PTPN11NPC1RAB9A
SCHEMBL15211077 0.83 CYP2C19 (0.70) GPR35PTPN1PTPN11NPC1RAB9A
SCHEMBL11395900 0.81 GPR35 (1.00) GPR35PTPN1PTPN11NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871051-B2 Process for decomposing lignin in biomass LOS ALAMOS NATIONAL SECURITY, LLC (US) 2014-10-28 US disclosed
US-20130248128-A1 PROCESS FOR DECOMPOSING LIGNIN IN BIOMASS LOS ALAMOS NATIONAL SECURITY, LLC (US) 2013-09-26 US disclosed
EP-1516041-B1 USE OF TRANSITION METAL COMPLEXES WITH NITROGEN-CONTAINING POLYDENTATE LIGANDS AS A BLEACHING CATALYST AND BLEACHING AGENT COMPOSITION DEGUSSA (DE) 2006-06-28 EP disclosed
EP-1516041-A1 USE OF TRANSITION METAL COMPLEXES WITH NITROGEN-CONTAINING POLYDENTATE LIGANDS AS A BLEACHING CATALYST AND BLEACHING AGENT COMPOSITION Degussa AG (DE) 2005-03-23 EP disclosed
US-20040053802-A1 Use of transition metal complexes with nitrogen-containing polydentate ligands as a bleaching catalyst and bleaching agent composition DEGUSSA AG 2004-03-18 US disclosed
WO-2004000986-A1 USE OF TRANSITION METAL COMPLEXES WITH NITROGEN-CONTAINING POLYDENTATE LIGANDS AS A BLEACHING CATALYST AND BLEACHING AGENT COMPOSITION DEGUSSA AG (DE) 2003-12-31 WO disclosed
US-5457126-A Applying optically to affected eye a mixture of antiallergens ALCON LABORATORIES, INC. (US) 1995-10-10 US disclosed
US-4886801-A Diazine-ethenylphenyl oxamic acids and esters and salts thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1989-12-12 US disclosed
US-4788198-A ANTIALLERGENS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1988-11-29 US disclosed
EP-0137979-B1 DIAZINE-ETHENYLPHENYL OXAMIC ACIDS AND ESTERS AND SALTS THEREOF Boehringer Ingelheim Pharmaceuticals Inc. (US) 1988-10-26 EP disclosed
US-4681884-A ANTIALLERGEN, ANTIINFLAMMATORY BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1987-07-21 US disclosed
US-4584315-A MIXTURE OF VASODILATORS AND BIOLOGUES THE UPJOHN COMPANY (US) 1986-04-22 US disclosed
EP-0137979-A1 Diazine-ethenylphenyl oxamic acids and esters and salts thereof Boehringer Ingelheim Pharmaceuticals Inc. (US) 1985-04-24 EP disclosed
US-4447449-A ADMINISTERING AN ANTIALLERGENIC AGENT THE UPJOHN COMPANY (US) 1984-05-08 US disclosed