SCHEMBL3450465

SCHEMBL3450465

COc1ccc2c(c1)CCCC2=CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.56
CYP11B2 P19099 6/20 0.56
CYP11B1 P15538 2/20 0.52
MIF P14174 3/20 0.48
KDM4E B2RXH2 3/20 0.48
GLA P06280 1/20 0.48
RXRA P19793 1/20 0.46
ESR1 P03372 1/20 0.46
CYP26A1 O43174 1/20 0.46
MAPT P10636 4/20 0.46
MAPK1 P28482 1/20 0.46
NFE2L2 Q16236 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MPO P05164 1/20 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

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
SCHEMBL3450462 1.00 CYP19A1 (0.56) CYP19A1CYP11B2CYP11B1MIFKDM4E
SCHEMBL3018271 0.91 MIF (0.57) CYP19A1CYP11B2CYP11B1MIFKDM4E
SCHEMBL3018274 0.91 MIF (0.57) CYP19A1CYP11B2CYP11B1MIFKDM4E
SCHEMBL9391395 0.91 MIF (0.57) CYP19A1CYP11B2CYP11B1MIFKDM4E
SCHEMBL12695711 0.89 NQO2 (0.49) CYP19A1CYP11B2CYP11B1KDM4ERXRA
SCHEMBL3894416 0.89 NQO2 (0.49) CYP19A1CYP11B2CYP11B1KDM4ERXRA
SCHEMBL3894420 0.89 NQO2 (0.49) CYP19A1CYP11B2CYP11B1KDM4ERXRA
SCHEMBL3854161 0.87 MAOA (0.53) CYP19A1CYP11B2RXRAMAPTALDH1A1
SCHEMBL14137061 0.83 MIF (0.65) CYP19A1MIFKDM4ECYP26A1MAPT
SCHEMBL4975289 0.83 MIF (0.65) CYP19A1MIFKDM4ECYP26A1MAPT

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 3 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
US-5192797-A Antiepileptic and anticonvulsant agents SYNTHELABO (FR) 1993-03-09 US disclosed