SCHEMBL6955031

SCHEMBL6955031

N#Cc1ccccc1-c1ccc(CCCCCCCCNC(=O)OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.53
AKR1B1 P15121 1/20 0.53
TGM2 P21980 1/20 0.51
HTT P42858 1/20 0.50
KEAP1 Q14145 2/20 0.49
NFE2L2 Q16236 2/20 0.49
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TRPV1 Q8NER1 2/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
PTPN1 P18031 1/20 0.44
TPSAB1 Q15661 1/20 0.43
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43
FAAH O00519 1/20 0.43

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
SCHEMBL6959200 0.99 FFAR1 (0.54) FFAR1AKR1B1TGM2HTTKEAP1
SCHEMBL6951994 0.96 FFAR1 (0.55) FFAR1AKR1B1TGM2HTTKEAP1
SCHEMBL6961214 0.91 FFAR1 (0.57) FFAR1AKR1B1TGM2HTTKEAP1
SCHEMBL6961953 0.84 FFAR1 (0.54) FFAR1AKR1B1LMNASMN1; SMN2PTPN1
SCHEMBL6956199 0.83 PTPN1 (0.52) FFAR1AKR1B1PTPN1TPSAB1TPSD1
SCHEMBL30605297 0.83 HTT (0.63) TGM2HTTKEAP1NFE2L2LMNA
SCHEMBL30605315 0.82 HTT (0.59) TGM2HTTKEAP1NFE2L2LMNA
SCHEMBL6957139 0.82 PTPN1 (0.53) FFAR1AKR1B1PTPN1
SCHEMBL7896965 0.80 TGM2 (0.50) TGM2HTTKEAP1NFE2L2LMNA
SCHEMBL25334836 0.80 HTT (0.56) TGM2HTTKEAP1NFE2L2LMNA

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