SCHEMBL6551203

SCHEMBL6551203

CCC1=C(CC)C(C)(C)CCC1=O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.31
ESR1 P03372 3/20 0.31

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
SCHEMBL10067412 0.79 TRPA1 (0.38) ESR2ESR1
SCHEMBL4277388 0.78 CYP3A4 (0.34)
SCHEMBL4271507 0.78 ESR2 (0.35) ESR2ESR1
SCHEMBL25222967 0.77
SCHEMBL25270934 0.68 ESR1 (0.31) ESR2ESR1
SCHEMBL16842397 0.67
SCHEMBL4274550 0.67 ESR1 (0.39) ESR2ESR1
SCHEMBL4269195 0.67 CYP3A4 (0.33) ESR2ESR1
SCHEMBL11246743 0.66 TRPA1 (0.40) ESR2ESR1
SCHEMBL25273763 0.66

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1094786-B1 PERFUME COMPOSITIONS QUEST INT SERV BV (NL) 2004-12-15 EP disclosed
US-6475473-B1 Perfume compositions QUEST INTERNATIONAL B.V. (NL) 2002-11-05 US disclosed