SCHEMBL7543622

SCHEMBL7543622

COCOCCCCCCCCCCCCCCCC=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
FAAH O00519 2/20 0.40
TRPV1 Q8NER1 2/20 0.40
HIF1A Q16665 1/20 0.38
PRKCA P17252 1/20 0.34
ASAH2 Q9NR71 2/20 0.33
LPAR1 Q92633 2/20 0.31
LPAR3 Q9UBY5 2/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL8814288 1.00 TSHR (0.44) TSHRFAAHTRPV1HIF1APRKCA
SCHEMBL8811143 1.00 TSHR (0.44) TSHRFAAHTRPV1HIF1APRKCA
SCHEMBL8811977 1.00 TSHR (0.44) TSHRFAAHTRPV1HIF1APRKCA
SCHEMBL8810628 1.00 TSHR (0.44) TSHRFAAHTRPV1HIF1APRKCA
SCHEMBL8813527 1.00 TSHR (0.44) TSHRFAAHTRPV1HIF1APRKCA
SCHEMBL8813126 1.00 TSHR (0.44) TSHRFAAHTRPV1HIF1APRKCA
SCHEMBL8812361 1.00 TSHR (0.44) TSHRFAAHTRPV1HIF1APRKCA
SCHEMBL13609143 0.98 TSHR (0.41) TSHRFAAHTRPV1HIF1APRKCA
SCHEMBL9844952 0.91
SCHEMBL8810617 0.88 TSHR (0.41) TSHRFAAHTRPV1HIF1APRKCA

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
EP-0885886-B1 PYRIDINECARBOXAMIDE DERIVATIVES NISSHIN SEIFUN GROUP INC (JP) 2002-05-29 EP disclosed
US-5972943-A N-(NITRIC ACID,C14-18 ALKYL ESTER)-6-(1-(OPTIONALLY 4-SUBSTITUTED PIPERAZINYL)) PYRIDINE-3-CARBOXAMIDES; METHOD OF SYNTHESIS; ADMINISTERING TO TREAT CEREBRAL EDEMA; NO HYPOTENSIVE SIDE EFFECT NISSHIN FLOUR MILLING CO., LTD. (JP) 1999-10-26 US disclosed
EP-0885886-A1 NOVEL PYRIDINECARBOXAMIDE DERIVATIVES Nisshin Flour Milling Co., Ltd. (JP) 1998-12-23 EP disclosed
US-5691319-A ANTICARCINOGENIC AGENTS SANKYO COMPANY, LIMITED (JP) 1997-11-25 US disclosed
CN-1033227-C Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and their use. SANKYO CO (JP) 1996-11-06 CN disclosed
EP-0536936-B1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use SANKYO CO (JP) 1996-08-14 EP disclosed
CN-1072686-A Has Pyrmidine nucleoside derivatives of anti-tumor activity and its production and use SANKYO CO (JP) 1993-06-02 CN disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 EP disclosed