SCHEMBL7194282

SCHEMBL7194282

COc1ccc2c(Oc3ccc(C=O)cc3)c(-c3ccc(OC)c(F)c3)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.39
TRPA1 O75762 1/20 0.39
GSTP1 P09211 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2A6 P11509 1/20 0.38
TTR P02766 1/20 0.38
PTGS2 P35354 4/20 0.37
TUBB1 Q9H4B7 3/20 0.37
NFE2L2 Q16236 1/20 0.37
PTGS1 P23219 2/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL7189972 0.90 MAPT (0.44) ERN1GSTP1ALDH1A1CYP2A6TTR
SCHEMBL7190071 0.87 GSTP1 (0.39) ERN1GSTP1ALDH1A1CYP2A6TTR
SCHEMBL7200140 0.87 ESR1 (0.49) ESR1ESR2ALDH1A1
SCHEMBL7200144 0.87 ESR1 (0.49) ESR1ESR2ALDH1A1
SCHEMBL7191254 0.87 ESR1 (0.44) GSTP1ESR1ESR2ALDH1A1CYP2A6
SCHEMBL7189743 0.86 ALDH1A1 (0.49) GSTP1ESR1ESR2ALDH1A1CYP2A6
SCHEMBL7928746 0.86 DHFR (0.41) TRPA1GSTP1ESR1ESR2ALDH1A1
SCHEMBL1359561 0.84 ESR1 (0.47) GSTP1ESR1ESR2ALDH1A1CYP2A6
SCHEMBL7940195 0.83 HSPB1 (0.46) TRPA1GSTP1ESR1ESR2PTGS2
SCHEMBL6050146 0.83 GSTP1 (0.43) ERN1GSTP1ESR1ESR2ALDH1A1

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
EP-0835867-B1 1-Aryloxy-2-arylnaphthyl compounds, intermediates, compositions, and methods LILLY CO ELI (US) 2003-12-03 EP disclosed
US-5916916-A USEFUL AS SELECTIVE ESTROGEN RECEPTOR MODULATORS. ELI LILLY AND COMPANY (US) 1999-06-29 US disclosed
EP-0835867-A1 1-Aryloxy-2-arylnaphthyl compounds, intermediates, compositions, and methods ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed