SCHEMBL7185068

SCHEMBL7185068

CCOC(=O)CCc1ccc(Oc2c(-c3cccc(OC)c3)ccc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 2/20 0.46
VDR P11473 2/20 0.44
PPARD Q03181 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
DGAT2 Q96PD7 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
PPARG P37231 1/20 0.41
LMNA P02545 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL7194279 0.93 CYP1A2 (0.47) MAPTTDP1ALDH1A1VDRPPARD
SCHEMBL7195351 0.90 MAPT (0.47) MAPTTDP1ALDH1A1L3MBTL1KDM4E
SCHEMBL7183969 0.90 ESR1 (0.43) MAPTTDP1ALDH1A1L3MBTL1KDM4E
SCHEMBL7183920 0.88 FFAR1 (0.50) VDRPPARDDGAT2MTNR1AMTNR1B
SCHEMBL7194188 0.86 ESR1 (0.45) MAPTTDP1ALDH1A1VDRPPARD
SCHEMBL7193901 0.86 MAPT (0.45) MAPTTDP1ALDH1A1VDRPPARD
SCHEMBL7195102 0.84 CYP4F2 (0.46) MAPTALDH1A1L3MBTL1KDM4EGLA
SCHEMBL7189999 0.84 CYP4F2 (0.46) MAPTTDP1ALDH1A1L3MBTL1KDM4E
SCHEMBL7183821 0.84 TDP1 (0.43) MAPTTDP1ALDH1A1VDRPPARD
SCHEMBL7185785 0.82 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6CYP2C9HSD17B1

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 1 patent. 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 claimed