SCHEMBL7181373

SCHEMBL7181373

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.50
ESR2 Q92731 5/20 0.50
ABCG2 Q9UNQ0 2/20 0.46
PAM P19021 1/20 0.44
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
PKM P14618 1/20 0.41
MMP3 P08254 2/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 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
SCHEMBL7181375 1.00 ESR1 (0.50) ESR1ESR2ABCG2PAMCYP1A1
SCHEMBL7181203 0.92 ESR1 (0.48) ESR1ESR2PAMKDM4ENPC1
SCHEMBL7181194 0.92 ESR1 (0.48) ESR1ESR2PAMKDM4ENPC1
SCHEMBL7190006 0.91 ESR1 (0.49) ESR1ESR2PAM
SCHEMBL7190003 0.91 ESR1 (0.49) ESR1ESR2PAM
SCHEMBL7189415 0.90 ESR1 (0.48) ESR1ESR2PAM
SCHEMBL7189412 0.90 ESR1 (0.48) ESR1ESR2PAM
SCHEMBL7189096 0.88 ESR1 (0.49) ESR1ESR2
SCHEMBL7189093 0.88 ESR1 (0.49) ESR1ESR2
SCHEMBL7186132 0.87 ESR1 (0.61) ESR1ESR2ABCG2CYP1A1CYP1B1

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