SCHEMBL6960030

SCHEMBL6960030

N#Cc1ccccc1-c1ccc(COCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.59
FFAR1 O14842 1/20 0.56
AKR1B1 P15121 1/20 0.56
EGLN1 Q9GZT9 1/20 0.55
TSHR P16473 2/20 0.50
GBA1 P04062 1/20 0.48
UGCG Q16739 1/20 0.48
GBA2 Q9HCG7 1/20 0.48
NAAA Q02083 1/20 0.44
MME P08473 1/20 0.44
CNR2 P34972 1/20 0.44
PTPN1 P18031 1/20 0.44
MAOB P27338 1/20 0.44
PTPN5 P54829 1/20 0.43
CNR1 P21554 1/20 0.43
OXTR P30559 1/20 0.43
AVPR1A P37288 1/20 0.43
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6952546 0.90 FFAR1 (0.57) ESR2FFAR1AKR1B1EGLN1TSHR
SCHEMBL6961295 0.87 FFAR1 (0.55) ESR2FFAR1AKR1B1EGLN1GBA1
SCHEMBL6960223 0.86 GBA1 (0.54) ESR2FFAR1AKR1B1EGLN1GBA1
SCHEMBL6961121 0.85 GBA1 (0.56) ESR2FFAR1AKR1B1EGLN1GBA1
SCHEMBL7836773 0.84 FFAR1 (0.72) ESR2FFAR1AKR1B1PTPN1MAOB
SCHEMBL2739 0.84 FFAR1 (0.46) ESR2FFAR1AKR1B1EGLN1TSHR
SCHEMBL6953214 0.83 ESR2 (0.59) ESR2FFAR1AKR1B1EGLN1GBA1
SCHEMBL16343447 0.82 EGLN1 (0.57) ESR2FFAR1AKR1B1EGLN1GBA1
SCHEMBL2958 0.82 GBA1 (0.48) ESR2FFAR1AKR1B1EGLN1TSHR
SCHEMBL8315064 0.80 FFAR1 (0.54) ESR2FFAR1AKR1B1EGLN1GBA1

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