SCHEMBL6961295

SCHEMBL6961295

N#Cc1ccccc1-c1ccc(CCCOCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.55
AKR1B1 P15121 1/20 0.55
GBA1 P04062 1/20 0.53
UGCG Q16739 1/20 0.53
GBA2 Q9HCG7 1/20 0.53
ESR2 Q92731 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
EGLN1 Q9GZT9 1/20 0.46
NAAA Q02083 2/20 0.43
OXTR P30559 1/20 0.43
AVPR1A P37288 1/20 0.43
IDO1 P14902 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PPARG P37231 2/20 0.40
PTPN1 P18031 1/20 0.39
MME P08473 1/20 0.39
CNR2 P34972 1/20 0.39
FNTA P49354 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
SCHEMBL6960223 0.96 GBA1 (0.54) FFAR1AKR1B1GBA1UGCGGBA2
SCHEMBL6961121 0.95 GBA1 (0.56) FFAR1AKR1B1GBA1UGCGGBA2
SCHEMBL6952546 0.92 FFAR1 (0.57) FFAR1AKR1B1GBA1UGCGGBA2
SCHEMBL6954290 0.89 TDP1 (0.57) FFAR1AKR1B1GBA1UGCGGBA2
SCHEMBL6960030 0.87 ESR2 (0.59) FFAR1AKR1B1GBA1UGCGGBA2
SCHEMBL7897831 0.85 CYP19A1 (0.45) FFAR1AKR1B1GBA1UGCGGBA2
SCHEMBL6955727 0.85 L3MBTL1 (0.63) FFAR1AKR1B1GBA1UGCGGBA2
SCHEMBL6957923 0.84 L3MBTL1 (0.65) FFAR1AKR1B1GBA1UGCGGBA2
SCHEMBL2958 0.84 GBA1 (0.48) FFAR1AKR1B1GBA1UGCGGBA2
SCHEMBL6960974 0.82 FFAR1 (0.49) FFAR1AKR1B1GBA1UGCGGBA2

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 4 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-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