SCHEMBL6957868

SCHEMBL6957868

N#Cc1ccccc1-c1ccc(CCCCO)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.57
FFAR1 O14842 2/20 0.52
AKR1B1 P15121 1/20 0.52
PTPN5 P54829 1/20 0.46
PPARG P37231 2/20 0.44
MME P08473 1/20 0.43
FAAH O00519 1/20 0.43
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
BRS3 P32247 1/20 0.41
ACHE P22303 2/20 0.41
PRKAG1 P54619 2/20 0.41
PRKAA1 Q13131 2/20 0.41
PRKAB1 Q9Y478 2/20 0.41
CNR2 P34972 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GBA1 P04062 1/20 0.40
UGCG Q16739 1/20 0.40
GBA2 Q9HCG7 1/20 0.40

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
SCHEMBL6961869 0.98 ESR2 (0.56) ESR2FFAR1AKR1B1PTPN5PPARG
SCHEMBL6957117 0.95 ESR2 (0.59) ESR2FFAR1AKR1B1PTPN5PPARG
SCHEMBL6949108 0.88 ESR2 (0.62) ESR2FFAR1AKR1B1PTPN5PPARG
SCHEMBL6953676 0.86 ESR2 (0.51) ESR2FFAR1AKR1B1PTPN5PPARG
SCHEMBL4253889 0.86 HSD17B10 (0.58) ESR2FFAR1AKR1B1PPARGACHE
SCHEMBL6957029 0.86 ESR2 (0.51) ESR2FFAR1AKR1B1PTPN5PPARG
SCHEMBL6962086 0.84 ESR2 (0.50) ESR2FFAR1AKR1B1PTPN5PPARG
SCHEMBL10718048 0.84 HSD17B10 (0.60) ESR2FFAR1AKR1B1PPARGACHE
SCHEMBL6954317 0.84 HSD17B10 (0.60) ESR2FFAR1AKR1B1PPARGACHE
SCHEMBL4256521 0.84 HSD17B10 (0.60) ESR2FFAR1AKR1B1PPARGACHE

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