SCHEMBL3452288

SCHEMBL3452288

COc1ccc2c(c1)CCC=C2CC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.67
KDM4E B2RXH2 3/20 0.48
GLA P06280 2/20 0.48
HSD17B10 Q99714 2/20 0.47
PTGS1 P23219 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
ABCB1 P08183 1/20 0.46
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
ALPL P05186 1/20 0.44
CLK1 P49759 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL10078298 0.90 MPO (0.52) MPOKDM4EHSD17B10PTGS1AKR1C3
SCHEMBL4621271 0.88 MPO (0.62) MPOKDM4EGLAHSD17B10ABCB1
SCHEMBL20235191 0.87 NQO2 (0.50) MPOKDM4EGLAHSD17B10PTGS1
SCHEMBL9482430 0.87 MPO (0.64) MPOKDM4EGLAABCB1MAPT
SCHEMBL4622222 0.85 MPO (0.63) MPOKDM4EGLAABCB1MAPT
SCHEMBL6325529 0.81 MPO (0.59) MPOKDM4EGLAHSD17B10MAPT
SCHEMBL7820683 0.79 NQO2 (0.61) MPOKDM4EHSD17B10PTGS1AKR1C3
SCHEMBL3451418 0.79 AKR1B1 (0.56) MPOCYP26A1MIF
SCHEMBL15818200 0.79 MPO (0.74) MPOKDM4EABCB1MAPTELANE
SCHEMBL5343932 0.78 SRD5A1 (0.50) MPOSMN1; SMN2L3MBTL1

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
US-7820837-B2 ethyl {6-[(3-phenoxybenzyl)oxy]-3,4-dihydronaphthalen-1-yl}acetate; having a GPR40 receptor function modulating action and being useful as an insulin secretagogue or a pharmaceutical agent for the prophylaxis or treatment of diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
EP-1630152-A1 CONDENSED RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2006-03-01 EP disclosed
EP-0461958-B1 2-(aminoalkyl)-5-(arylalkyl)1,3-dioxanderivatives their production and their use in therapeutics SYNTHELABO (FR) 1994-09-14 EP disclosed
EP-0461958-A1 2-(aminoalkyl)-5-(arylalkyl)1,3-dioxanderivatives their production and their use in therapeutics SYNTHELABO (FR) 1991-12-18 EP disclosed