SCHEMBL901310

SCHEMBL901310

CC1=CCC2C(C)(C)CCC(=O)C2(C)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.33
CHRNB2 P17787 3/20 0.33
CHRNB4 P30926 3/20 0.33
CHRNA3 P32297 3/20 0.33
CHRNA4 P43681 3/20 0.33
CHRNA7 P36544 2/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
SHBG P04278 1/20 0.31
SERPINA6 P08185 1/20 0.31
GUSB P08236 1/20 0.31
CYP3A4 P08684 1/20 0.31
G6PD P11413 1/20 0.31
PMP22 Q01453 1/20 0.31
KMT2A Q03164 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
TSHR P16473 1/20 0.31
TRPA1 O75762 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
SCHEMBL901141 0.73 CYP19A1 (0.35) CYP19A1MEN1LMNASHBGSERPINA6
SCHEMBL25418374 0.66 MEN1 (0.33) MAPTMEN1LMNAKMT2A
SCHEMBL903320 0.63 ESR2 (0.36) CYP19A1MEN1CYP3A4KMT2A
SCHEMBL21319090 0.63 CYP19A1 (0.32) CYP19A1
SCHEMBL901017 0.63 CYP19A1 (0.33) CYP19A1CYP3A4
SCHEMBL10099734 0.62 HSP90AA1 (0.31)
SCHEMBL22125286 0.61 DUSP3 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL15131693 0.60 CNR1 (0.36) CYP3A4TSHR
SCHEMBL900994 0.60 CYP3A4 (0.32) MEN1CYP3A4KMT2ATSHR
SCHEMBL4435768 0.60 TSHR (0.30) TSHR

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