SCHEMBL9033178

SCHEMBL9033178

O=CC1(C2=CCCC2)CCCCC1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC5 Q9UQL6 1/20 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
SCHEMBL5035618 0.74 MEN1 (0.35) HCAR2
SCHEMBL15264275 0.71
SCHEMBL14893948 0.69
SCHEMBL14893627 0.68 MAPK1 (0.32)
SCHEMBL14895709 0.68
SCHEMBL20899511 0.66 HCAR2 (0.34) HCAR3HCAR2HDAC3HDAC4HDAC1
SCHEMBL14893718 0.65
SCHEMBL9821528 0.64 CYP19A1 (0.31)
SCHEMBL10430415 0.63
SCHEMBL1299548 0.63 AKR1C1 (0.45) HDAC4

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-0485061-B1 Substituted cyclopentenyloxabicyclooctanes, cyclopentenyl-formylcyclohexenes, cyclopentenylhydroxymethyl cyclohexenes and camphonyl spirocyclooxaoctane-containing compositions, organoleptic uses thereof and process for preparing same INT FLAVORS & FRAGRANCES INC (US) 1996-01-03 EP claimed