SCHEMBL16202199

SCHEMBL16202199

CC(=O)OC1C2CCC3(C2)C1CCCC3(C)C

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP19A1 P11511 5/20 0.30

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
SCHEMBL16202200 0.77 CYP19A1 (0.31) CYP19A1
SCHEMBL10456473 0.73 HSD17B10 (0.31) ALDH1A1
SCHEMBL13383161 0.67 CYP3A4 (0.39) APOBEC3ACTDSP1APOBEC3GMEN1ALDH1A1
SCHEMBL14404998 0.63 CHRM2 (0.38) MEN1CYP2D6KMT2ACYP3A4CYP19A1
SCHEMBL19497284 0.63 CYP3A4 (0.31) ALDH1A1KMT2ACYP3A4
SCHEMBL4358622 0.61 MEN1 (0.54) APOBEC3ACTDSP1APOBEC3GMEN1ALDH1A1
SCHEMBL4366002 0.61 ALDH1A1 (0.49) APOBEC3ACTDSP1APOBEC3GMEN1ALDH1A1
SCHEMBL21642935 0.61 ALDH1A1 (0.49) APOBEC3ACTDSP1APOBEC3GMEN1ALDH1A1
SCHEMBL3160143 0.59 CHRM2 (0.35) MEN1CYP2D6KMT2ACYP3A4
SCHEMBL6467061 0.59 CHRM2 (0.35) MEN1CYP2D6KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556400-B2 5,5-dimethyl-2-propyl-hexahydro-2,4a-methano-naphthalen-1-one as a fragrance agent V. MANE FILS (FR) 2017-01-31 US disclosed
US-9556400-B2 5,5-dimethyl-2-propyl-hexahydro-2,4a-methano-naphthalen-1-one as a fragrance agent V. MANE FILS (FR) 2017-01-31 US disclosed
EP-2785675-B1 5,5-DIMETHYL-2-PROPYL-HEXAHYDRO-2,4A-METHANONAPHTHALENE-1-ONE AS A FRAGRANCE AGENT MANE FILS V (FR) 2015-11-18 EP disclosed
US-20140323387-A1 5,5-Dimethyl-2-propyl-hexahydro-2,4a-methano-naphthalen-1-one as a fragrance agent V. MANE FILS (FR) 2014-10-30 US disclosed
US-20140323387-A1 5,5-Dimethyl-2-propyl-hexahydro-2,4a-methano-naphthalen-1-one as a fragrance agent V. MANE FILS (FR) 2014-10-30 US disclosed