SCHEMBL4438747

SCHEMBL4438747

CCOc1ccc(CC=O)c(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
PLAU P00749 2/20 0.44
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
PLAT P00750 1/20 0.44
SLC5A1 P13866 2/20 0.43
SLC5A2 P31639 2/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 1/20 0.43
KLKB1 P03952 1/20 0.43
NQO1 P15559 1/20 0.42
CHEK1 O14757 1/20 0.41
DAPK3 O43293 1/20 0.41
PRKD3 O94806 1/20 0.41
PIM1 P11309 1/20 0.41
MAPK8 P45983 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CDK8 P49336 1/20 0.41
CLK2 P49760 1/20 0.41

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
SCHEMBL4474958 0.84 LTA4H (0.52) LTA4HPLAUF2F10PLAT
SCHEMBL3396177 0.84 POLB (0.41) ERN1
SCHEMBL23617301 0.83 LTA4H (0.44) LTA4HPLAUF2F10PLAT
SCHEMBL2844288 0.83 PTPN1 (0.50) LTA4HSLC5A1SLC5A2ALDH1A1MAPT
SCHEMBL29163509 0.83 CNR2 (0.56) LTA4H
SCHEMBL29158187 0.83 CNR2 (0.56) LTA4H
SCHEMBL3625530 0.83 POLB (0.57) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL933048 0.83 ADRB2 (0.40) GAAHTT
SCHEMBL1682636 0.81 KDM4E (0.49) ALDH1A1MAPTHSD17B10NQO1KDM4E
SCHEMBL3641442 0.80 MAOB (0.59) SLC5A1SLC5A2

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-3687506-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2020-08-05 EP disclosed
WO-2019195720-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2019-10-10 WO disclosed
EP-2134678-A2 N-(5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Abbott Laboratories (US) 2009-12-23 EP disclosed
WO-2008079683-A2 N- (5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN ABBOTT LABORATORIES (US) 2008-07-03 WO disclosed