SCHEMBL7183632

SCHEMBL7183632

COc1ccc(-c2ccc3cc(OC)ccc3c2Oc2ccc(CCC(=O)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.52
FFAR4 Q5NUL3 4/20 0.51
ESR1 P03372 1/20 0.47
CYP1A2 P05177 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
MAOA P21397 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
PTGS1 P23219 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL7187874 0.95 ESR1 (0.55) FFAR1FFAR4ESR1CYP1A2SMN1; SMN2
SCHEMBL7183696 0.94 FFAR1 (0.51) FFAR1FFAR4ESR1CYP1A2SMN1; SMN2
SCHEMBL7194015 0.94 FFAR1 (0.53) FFAR1FFAR4ESR1CYP1A2SMN1; SMN2
SCHEMBL7187213 0.94 FFAR4 (0.47) FFAR1FFAR4ESR1CYP1A2SMN1; SMN2
SCHEMBL7188059 0.93 ESR1 (0.55) FFAR1FFAR4ESR1KDM4EMAPT
SCHEMBL7183653 0.90 FFAR1 (0.51) FFAR1FFAR4CYP1A2SMN1; SMN2NPC1
SCHEMBL7188049 0.89 FFAR1 (0.56) FFAR1FFAR4NPC1RAB9AALDH1A1
SCHEMBL7187740 0.88 FFAR1 (0.50) FFAR1FFAR4ESR1CYP1A2SMN1; SMN2
SCHEMBL7181091 0.88 ESR1 (0.48) FFAR1FFAR4ESR1
SCHEMBL7189999 0.87 CYP4F2 (0.46) FFAR1FFAR4ESR1CYP1A2SMN1; SMN2

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