SCHEMBL7189113

SCHEMBL7189113

O=C(O)CCc1ccc(Oc2c(-c3ccccc3)ccc3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 18/20 0.57
AKR1B1 P15121 3/20 0.54
FFAR4 Q5NUL3 10/20 0.52
SRD5A2 P31213 1/20 0.51

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
SCHEMBL7190482 0.93 ESR1 (0.53) FFAR1AKR1B1FFAR4SRD5A2
SCHEMBL7187264 0.92 FFAR1 (0.56) FFAR1AKR1B1FFAR4SRD5A2
SCHEMBL7188049 0.92 FFAR1 (0.56) FFAR1AKR1B1FFAR4SRD5A2
SCHEMBL7190740 0.90 FFAR1 (0.53) FFAR1AKR1B1FFAR4
SCHEMBL7183920 0.88 FFAR1 (0.50) FFAR1AKR1B1FFAR4SRD5A2
SCHEMBL6239365 0.87 SRD5A2 (0.49) AKR1B1SRD5A2
SCHEMBL7187252 0.81 ESR1 (0.62) FFAR1FFAR4
SCHEMBL7182660 0.81 ESR1 (0.56) FFAR1AKR1B1FFAR4
SCHEMBL7183632 0.80 FFAR1 (0.52) FFAR1FFAR4
SCHEMBL7183653 0.80 FFAR1 (0.51) FFAR1FFAR4

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