SCHEMBL6957583

SCHEMBL6957583

N#Cc1ccccc1-c1ccc(OCCl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.56
FFAR1 O14842 2/20 0.54
AKR1B1 P15121 1/20 0.54
PTPN5 P54829 1/20 0.44
PTPN1 P18031 1/20 0.42
HIF1A Q16665 1/20 0.41
PPARG P37231 2/20 0.40
TRPA1 O75762 1/20 0.40
ACHE P22303 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
CNR2 P34972 1/20 0.40
STS P08842 1/20 0.39
PTGES O14684 1/20 0.39
VCP P55072 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39

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
SCHEMBL6956766 0.89 ESR2 (0.51) ESR2FFAR1AKR1B1PTPN5PTPN1
SCHEMBL6960961 0.85 ESR2 (0.54) ESR2FFAR1AKR1B1PTPN5PTPN1
SCHEMBL6961627 0.82 ESR2 (0.51) ESR2FFAR1AKR1B1PTPN5PTPN1
SCHEMBL7836773 0.82 FFAR1 (0.72) ESR2FFAR1AKR1B1PTPN1HIF1A
SCHEMBL6959613 0.82 ESR2 (0.51) ESR2FFAR1AKR1B1PTPN1PPARG
SCHEMBL9469629 0.81 FFAR1 (0.50) ESR2FFAR1AKR1B1PTPN5PTPN1
SCHEMBL11573789 0.80 KDM4E (0.52) ESR2FFAR1AKR1B1PTPN1S1PR1
SCHEMBL31410710 0.79 ESR2 (0.76) ESR2FFAR1AKR1B1PTPN5PPARG
SCHEMBL4052784 0.79 ESR2 (0.59) ESR2FFAR1AKR1B1PTPN5PPARG
SCHEMBL6951995 0.79 ESR2 (0.59) ESR2FFAR1AKR1B1PTPN5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711762-B1 PROCESS FOR PRODUCING TETRAZOLE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-08-06 EP disclosed
US-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 US disclosed
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed