SCHEMBL7187740

SCHEMBL7187740

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.50
FFAR4 Q5NUL3 5/20 0.46
PPARD Q03181 3/20 0.43
PPARA Q07869 2/20 0.43
ESR1 P03372 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
MAOA P21397 1/20 0.41
SLC6A2 P23975 1/20 0.41
RAB9A P51151 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRM2 Q14416 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
SCHEMBL7190395 0.89 CYP1A2 (0.42) FFAR1PPARDPPARAESR1AKR1C3
SCHEMBL7194015 0.88 FFAR1 (0.53) FFAR1FFAR4PPARAESR1AKR1C3
SCHEMBL7183632 0.88 FFAR1 (0.52) FFAR1FFAR4ESR1AKR1C3AKR1C2
SCHEMBL7187977 0.86 ESR1 (0.47) FFAR1FFAR4PPARDESR1LMNA
SCHEMBL7187874 0.85 ESR1 (0.55) FFAR1FFAR4ESR1AKR1C3AKR1C2
SCHEMBL7183653 0.85 FFAR1 (0.51) FFAR1FFAR4PPARDKDM4ENPC1
SCHEMBL7183696 0.84 FFAR1 (0.51) FFAR1FFAR4ESR1AKR1C3AKR1C2
SCHEMBL8501413 0.83 AKR1C3 (0.42) FFAR1PPARDPPARAESR1AKR1C3
SCHEMBL7181091 0.83 ESR1 (0.48) FFAR1FFAR4PPARDESR1
SCHEMBL7187213 0.82 FFAR4 (0.47) FFAR1FFAR4ESR1AKR1C3AKR1C2

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