SCHEMBL7190060

SCHEMBL7190060

CCN(CC)C(=O)CCc1ccc(Oc2c(-c3ccc(O)cc3)ccc3ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.40
ESR2 Q92731 5/20 0.40
FFAR1 O14842 5/20 0.40
FFAR4 Q5NUL3 3/20 0.40
APP P05067 1/20 0.39
TSHR P16473 1/20 0.38
AKR1B1 P15121 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36

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
SCHEMBL7187431 0.92 MMP3 (0.43) ESR1ESR2FFAR1FFAR4APP
SCHEMBL7195102 0.87 CYP4F2 (0.46) ESR1ESR2FFAR1FFAR4AKR1B1
SCHEMBL7190482 0.85 ESR1 (0.53) ESR1FFAR1FFAR4AKR1B1
SCHEMBL7187512 0.82 ESR1 (0.47) ESR1ESR2APP
SCHEMBL7182817 0.79 ESR1 (0.51) ESR1ESR2LTB4R2NPC1
SCHEMBL7195351 0.79 MAPT (0.47) ESR1ESR2FFAR1FFAR4NPC1
SCHEMBL7189113 0.78 FFAR1 (0.57) FFAR1FFAR4AKR1B1
SCHEMBL7188049 0.78 FFAR1 (0.56) FFAR1FFAR4AKR1B1NPC1RAB9A
SCHEMBL8501206 0.78 MAPT (0.45) ESR1ESR2NPC1RAB9A
SCHEMBL7193207 0.77 ESR1 (0.49) ESR1ESR2

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 1 patent. 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