SCHEMBL7186129

SCHEMBL7186129

COc1ccc(-c2ccc3ccccc3c2Oc2ccc(/C=C/C(=O)O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.61
ESR2 Q92731 7/20 0.61
THRB P10828 1/20 0.56
ATM Q13315 1/20 0.56
ABCG2 Q9UNQ0 2/20 0.53
CYP1A1 P04798 1/20 0.50
CYP1B1 Q16678 1/20 0.50
GAA P10253 1/20 0.47
BCHE P06276 1/20 0.47
CYP3A4 P08684 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47

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
SCHEMBL7186132 1.00 ESR1 (0.61) ESR1ESR2THRBATMABCG2
SCHEMBL7183989 0.92 ESR1 (0.59) ESR1ESR2THRBATMCYP1A1
SCHEMBL7183993 0.92 ESR1 (0.59) ESR1ESR2THRBATMCYP1A1
SCHEMBL7182543 0.90 ESR1 (0.60) ESR1ESR2
SCHEMBL7184764 0.90 ESR1 (0.58) ESR1ESR2THRBATM
SCHEMBL7182549 0.90 ESR1 (0.60) ESR1ESR2
SCHEMBL7184758 0.90 ESR1 (0.58) ESR1ESR2THRBATM
SCHEMBL7195203 0.89 ESR1 (0.58) ESR1ESR2THRBATMABCG2
SCHEMBL7195206 0.89 ESR1 (0.58) ESR1ESR2THRBATMABCG2
SCHEMBL7182553 0.89 ESR1 (0.59) ESR1ESR2THRBATM

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 4 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
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
EP-0835867-A1 1-Aryloxy-2-arylnaphthyl compounds, intermediates, compositions, and methods ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed