SCHEMBL903320

SCHEMBL903320

CC1CCC2(C)C(=O)CCC(C)(C)C2C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.36
ESR1 P03372 1/20 0.36
CYP19A1 P11511 17/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3860325 0.70 CYP19A1 (0.46) CYP19A1
SCHEMBL21917264 0.69 CYP19A1 (0.49) CYP19A1MEN1ALDH1A1CYP3A4KMT2A
SCHEMBL14880005 0.69 CYP19A1 (0.49) CYP19A1MEN1ALDH1A1CYP3A4KMT2A
SCHEMBL266913 0.68 CYP19A1 (0.44) CYP19A1MEN1ALDH1A1CYP3A4KMT2A
SCHEMBL3146912 0.68 CYP19A1 (0.44) CYP19A1MEN1ALDH1A1CYP3A4KMT2A
SCHEMBL9839543 0.68 PAX8 (0.33) MEN1ALDH1A1CYP3A4KMT2A
SCHEMBL4816830 0.66 CYP19A1 (0.42) CYP19A1
SCHEMBL901310 0.63 CYP19A1 (0.33) CYP19A1MEN1CYP3A4KMT2A
SCHEMBL901141 0.63 CYP19A1 (0.35) CYP19A1MEN1CYP3A4KMT2A
SCHEMBL15728021 0.63 MEN1 (0.30) MEN1ALDH1A1CYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103154217-B 4,4-dimethyl-decal-1-one or -1-ol derivatives as perfuming ingredients FIRMENICH & CIE 2015-04-15 CN disclosed
EP-2622051-B1 4,4-DIMETHYL-DECAL-1-ONE OR -1-OL DERIVATIVES AS PERFUMING INGREDIENTS FIRMENICH & CIE (CH) 2014-07-09 EP disclosed
EP-2622051-B1 4,4-DIMETHYL-DECAL-1-ONE OR -1-OL DERIVATIVES AS PERFUMING INGREDIENTS FIRMENICH & CIE (CH) 2014-07-09 EP disclosed
US-8697626-B2 4,4-dimethyl-decal-1-one or -1-OL derivatives as perfuming ingredients FIRMENICH SA (CH) 2014-04-15 US disclosed
US-20130190218-A1 4,4-DIMETHYL-DECAL-1-ONE OR -1-OL DERIVATIVES AS PERFUMING INGREDIENTS FIRMENICH SA 2013-07-25 US disclosed
US-20130190218-A1 4,4-DIMETHYL-DECAL-1-ONE OR -1-OL DERIVATIVES AS PERFUMING INGREDIENTS FIRMENICH SA 2013-07-25 US disclosed
US-20130190218-A1 4,4-DIMETHYL-DECAL-1-ONE OR -1-OL DERIVATIVES AS PERFUMING INGREDIENTS FIRMENICH SA 2013-07-25 US disclosed
CN-103154217-A 4,4-dimethyl-decal-1-one or -1-ol derivatives as perfuming ingredients FIRMENICH & CIE 2013-06-12 CN disclosed
WO-2012041820-A1 4,4-DIMETHYL-DECAL-1-ONE OR -1-OL DERIVATIVES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2012-04-05 WO disclosed