SCHEMBL901141

SCHEMBL901141

CC1=CCC2(C)C(=O)CCC(C)(C)C2C1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.35
CYP3A4 P08684 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
SHBG P04278 1/20 0.34
SERPINA6 P08185 1/20 0.34
GUSB P08236 1/20 0.34
G6PD P11413 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL901017 0.78 CYP19A1 (0.33) CYP19A1CYP3A4
SCHEMBL901310 0.73 CYP19A1 (0.33) CYP19A1CYP3A4MEN1LMNASHBG
SCHEMBL9258403 0.72 CYP19A1 (0.39) CYP19A1CYP3A4MEN1LMNASHBG
SCHEMBL9258399 0.72 CYP19A1 (0.39) CYP19A1CYP3A4MEN1LMNASHBG
SCHEMBL9258408 0.72 CYP19A1 (0.39) CYP19A1CYP3A4MEN1LMNASHBG
SCHEMBL901277 0.69 CYP19A1 (0.44) CYP19A1CYP3A4MEN1LMNASHBG
SCHEMBL4812573 0.66 CYP19A1 (0.40) CYP19A1CYP3A4MEN1LMNASHBG
SCHEMBL25419852 0.65 ALDH1A1 (0.35) CYP19A1CYP3A4MEN1LMNASHBG
SCHEMBL5366274 0.65 CYP3A4 (0.32) CYP3A4
SCHEMBL4809709 0.64 CYP19A1 (0.42) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2622051-B1 4,4-DIMETHYL-DECAL-1-ONE OR -1-OL DERIVATIVES AS PERFUMING INGREDIENTS FIRMENICH & CIE (CH) 2014-07-09 EP claimed
US-8697626-B2 4,4-dimethyl-decal-1-one or -1-OL derivatives as perfuming ingredients FIRMENICH SA (CH) 2014-04-15 US claimed
EP-2622051-A1 4,4-DIMETHYL-DECAL-1-ONE OR -1-OL DERIVATIVES AS PERFUMING INGREDIENTS Firmenich SA (CH) 2013-08-07 EP claimed
US-20130190218-A1 4,4-DIMETHYL-DECAL-1-ONE OR -1-OL DERIVATIVES AS PERFUMING INGREDIENTS FIRMENICH SA 2013-07-25 US claimed
WO-2012041820-A1 4,4-DIMETHYL-DECAL-1-ONE OR -1-OL DERIVATIVES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2012-04-05 WO claimed
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
EP-2622051-A1 4,4-DIMETHYL-DECAL-1-ONE OR -1-OL DERIVATIVES AS PERFUMING INGREDIENTS Firmenich SA (CH) 2013-08-07 EP disclosed
US-20130190218-A1 4,4-DIMETHYL-DECAL-1-ONE OR -1-OL DERIVATIVES AS PERFUMING INGREDIENTS FIRMENICH SA 2013-07-25 US 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