SCHEMBL7190071

SCHEMBL7190071

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.39
ERN1 O75460 2/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP2A6 P11509 1/20 0.38
TTR P02766 1/20 0.38
PTGS2 P35354 4/20 0.37
PTGS1 P23219 2/20 0.36
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
CYP1A2 P05177 1/20 0.35
SLC2A1 P11166 1/20 0.35
TSHR P16473 1/20 0.35
DHFR P00374 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
AGPAT2 O15120 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34

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) GSTP1ERN1ALDH1A1CYP2A6TTR
SCHEMBL7194282 0.87 ERN1 (0.39) GSTP1ERN1ALDH1A1CYP2A6TTR
SCHEMBL7182654 0.87 ALOX5 (0.43) GSTP1ALDH1A1CYP2A6MAPT
SCHEMBL7189743 0.86 ALDH1A1 (0.49) GSTP1ALDH1A1CYP2A6PTGS2MAPT
SCHEMBL7937985 0.86 DHFR (0.41) GSTP1CYP2A6PTGS2PTGS1CYP1A2
SCHEMBL7188354 0.84 RELA (0.42) GSTP1ALDH1A1CYP2A6CYP1A2SLC2A1
SCHEMBL7940253 0.83 TLR9 (0.44) ALDH1A1PTGS2MAPTHPGDCYP1A2
SCHEMBL6050146 0.83 GSTP1 (0.43) GSTP1ERN1ALDH1A1CYP2A6TTR
SCHEMBL7191254 0.82 ESR1 (0.44) GSTP1ALDH1A1CYP2A6MAPT
SCHEMBL3120120 0.81 CYP1A2 (0.44) GSTP1ALDH1A1CYP2A6MAPTCYP1A2

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