SCHEMBL3629995

SCHEMBL3629995

NCc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 10/20 0.57
TAAR1 Q96RJ0 1/20 0.53
HNF4A P41235 1/20 0.53
BCAT2 O15382 1/20 0.52
MYC P01106 1/20 0.51
BRS3 P32247 2/20 0.51
LPAR1 Q92633 1/20 0.51
FOLH1 Q04609 2/20 0.50
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50

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
Hydrochloric Acid SCHEMBL6179887 0.98 LTB4R2 (0.56) LTB4R2TAAR1HNF4ABCAT2MYC
SCHEMBL500761 0.86 BCAT2 (0.67) LTB4R2TAAR1BCAT2
SCHEMBL5151244 0.85 LTB4R2 (0.60) LTB4R2HNF4ABRS3LPAR1FOLH1
SCHEMBL19237016 0.85 CFD (0.50) LTB4R2HNF4ABCAT2MYCBRS3
SCHEMBL27461455 0.85 TAAR1 (0.48) LTB4R2TAAR1BCAT2LPAR1
SCHEMBL30292805 0.84 HNF4A (0.63) LTB4R2HNF4ABCAT2MYCFNTA
SCHEMBL18759613 0.84 HNF4A (0.63) LTB4R2HNF4ABCAT2MYCFNTA
Hydrochloric Acid SCHEMBL500203 0.84 BCAT2 (0.65) LTB4R2TAAR1BCAT2
SCHEMBL27907961 0.84 TAAR1 (0.47) LTB4R2TAAR1HNF4ABCAT2
SCHEMBL27431910 0.84 LTB4R2 (0.49) LTB4R2TAAR1BCAT2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146987-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-01-27 EP claimed
WO-2008126024-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 WO claimed
WO-2015141958-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT 현대약품 주식회사 2015-09-24 WO disclosed
EP-2146963-A2 DUAL-ACTING ANTIHYPERTENSIVE AGENTS Theravance, Inc. (US) 2010-01-27 EP disclosed
EP-2146987-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-01-27 EP disclosed
WO-2008133896-A2 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2008-11-06 WO disclosed
WO-2008126024-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 WO disclosed
CN-1787833-A Pharmaceutical preparation comprising acid-stabilized insulin NOVO NORDISK AS (DK) 2006-06-14 CN disclosed
CN-1064042-C Intermediate of benzazepine derivative YAMANOUCHI PHARMA CO LTD (JP) 2001-04-04 CN disclosed
CN-1058710-C New benzamide derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 2000-11-22 CN disclosed
CN-1040748-C Benzazepine derivatives, pharmaceutical compositions and intermediates thereof YAMANOUCHI PHARMA CO LTD (JP) 1998-11-18 CN disclosed
EP-0612317-A1 SUBSTITUTED HETEROCYCLES AS ANGIOTENSIN II ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1994-08-31 EP disclosed
EP-0572455-A1 SUBSTITUTED PYRIDINONES AND PYRIMIDINONES AS ANGIOTENSIN II ANTAGONISTS Astra Pharmaceuticals Limited (GB) 1993-12-08 EP disclosed
US-5256695-A Acyl amidine and acyl guanidine substituted biphenyl derivatives E. R. SQUIBB & SONS, INC. (US) 1993-10-26 US disclosed
US-5256781-A Anticholesterol, antilipemic, hypotensive agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-10-26 US disclosed
US-5236925-A Hypotensive agents, treatment of congestive heart failure AMERICAN HOME PRODUCTS CORPORATION (US) 1993-08-17 US disclosed
WO-1993008170-A1 SUBSTITUTED HETEROCYCLES AS ANGIOTENSIN II ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-04-29 WO disclosed
US-5187168-A Hypotensive agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-02-16 US disclosed
US-5177097-A Acyl amidine and acyl, guanidine substituted biphenyl derivatives E. R. SQUIBB & SONS, INC. (US) 1993-01-05 US disclosed
WO-1992014714-A1 SUBSTITUTED PYRIDINONES AND PYRIMIDINONES AS ANGIOTENSIN II ANTAGONISTS FISONS PLC (GB) 1992-09-03 WO disclosed