SCHEMBL6960223

SCHEMBL6960223

N#Cc1ccccc1-c1ccc(CCCCOCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.54
UGCG Q16739 1/20 0.54
GBA2 Q9HCG7 1/20 0.54
FFAR1 O14842 1/20 0.54
AKR1B1 P15121 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
ESR2 Q92731 1/20 0.48
EGLN1 Q9GZT9 1/20 0.45
NAAA Q02083 2/20 0.42
OXTR P30559 1/20 0.42
AVPR1A P37288 1/20 0.42
FAAH O00519 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PGGT1B P53609 1/20 0.39
PPARG P37231 2/20 0.39
PTPN1 P18031 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
MME P08473 1/20 0.38

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
SCHEMBL6961121 0.99 GBA1 (0.56) GBA1UGCGGBA2FFAR1AKR1B1
SCHEMBL6961295 0.96 FFAR1 (0.55) GBA1UGCGGBA2FFAR1AKR1B1
SCHEMBL6952546 0.91 FFAR1 (0.57) GBA1UGCGGBA2FFAR1AKR1B1
SCHEMBL6955727 0.89 L3MBTL1 (0.63) GBA1UGCGGBA2FFAR1AKR1B1
SCHEMBL6957923 0.88 L3MBTL1 (0.65) GBA1UGCGGBA2FFAR1AKR1B1
SCHEMBL6960030 0.86 ESR2 (0.59) GBA1UGCGGBA2FFAR1AKR1B1
SCHEMBL6954290 0.85 TDP1 (0.57) GBA1UGCGGBA2FFAR1AKR1B1
SCHEMBL2958 0.83 GBA1 (0.48) GBA1UGCGGBA2FFAR1AKR1B1
SCHEMBL6961938 0.82 FFAR1 (0.48) GBA1UGCGGBA2FFAR1AKR1B1
SCHEMBL7897831 0.82 CYP19A1 (0.45) GBA1UGCGGBA2FFAR1AKR1B1

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