SCHEMBL1626652

SCHEMBL1626652

CC(C)C(=O)OC1CC[C@H]2CCCC[C@@H]2C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
ADRA1A P35348 1/20 0.30
CHRNA4 P43681 1/20 0.30
HTR3A P46098 1/20 0.30
KCNH2 Q12809 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 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
SCHEMBL1626651 1.00 CYP19A1 (0.36) CYP19A1LMNAHPGDSMN1; SMN2CHRM2
SCHEMBL13913224 0.96 CYP19A1 (0.33) CYP19A1CHRM2CHRM1CHRM3ADRA1A
SCHEMBL2759378 0.83 CASP6 (0.34) CYP19A1HPGDSMN1; SMN2CHRM2CHRM1
SCHEMBL14219308 0.83 CYP19A1 (0.31) CYP19A1
SCHEMBL12705003 0.82
SCHEMBL12198883 0.80 CHRM1 (0.33) CYP19A1SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL10448823 0.80 TSHR (0.40) TSHR
SCHEMBL872971 0.79 MEN1 (0.37) CHRM2CHRM1CHRM3CYP2D6
SCHEMBL113630 0.79 MEN1 (0.37) CHRM2CHRM1CHRM3CYP2D6
SCHEMBL22511301 0.79 SERPINE1 (0.41) CYP19A1LMNASMN1; SMN2CHRM2CHRM1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9358191-B2 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-06-07 US disclosed
US-8961946-B2 Hair processing agent and method for permanent waving hair SHOWA DENKO K.K. (JP) 2015-02-24 US disclosed
US-20140271522-A1 DEODORANT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-09-18 US disclosed
US-8778320-B2 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-07-15 US disclosed
EP-1561476-B1 DEODORANT COMPOSITION TAKASAGO PERFUMERY CO LTD (JP) 2014-02-12 EP disclosed
US-8539631-B2 Roller for providing benefits to fabric THE PROCTER & GAMBLE COMPANY (US) 2013-09-24 US disclosed
US-20130136713-A1 DEODORANT COMPOSITION FOR SULFIDES TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-05-30 US disclosed
US-20110093246-A1 Modeling Systems for Consumer Goods STANTON DAVID THOMAS 2011-04-21 US disclosed
US-20090087401-A1 DEODORANT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-04-02 US disclosed
EP-2013826-A2 MODELING SYSTEMS FOR CONSUMER GOODS The Procter and Gamble Company (US) 2009-01-14 EP disclosed
US-20080040082-A1 Modeling systems for consumer goods THE PROCTER & GAMBLE COMPANY 2008-02-14 US disclosed
US-20080027575-A1 Modeling systems for health and beauty consumer goods PROCTER & GAMBLE COMPANY, THE 2008-01-31 US disclosed
WO-2007122582-A2 MODELING SYSTEMS FOR CONSUMER GOODS THE PROCTER & GAMBLE COMPANY (US) 2007-11-01 WO disclosed
EP-1827370-A1 HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR Showa Denko K.K. (JP) 2007-09-05 EP disclosed
EP-1765139-A1 ROLLER FOR PROVIDING BENEFITS TO FABRIC The Procter and Gamble Company (US) 2007-03-28 EP disclosed
US-20060165622-A1 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-07-27 US disclosed
WO-2006068276-A1 HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR SHOWA DENKO K.K. (JP) 2006-06-29 WO disclosed
WO-2006010087-A1 ROLLER FOR PROVIDING BENEFITS TO FABRIC THE PROCTER & GAMBLE COMPANY (US) 2006-01-26 WO disclosed
US-20060005333-A1 Roller for providing benefits to fabric PROCTER & GAMBLE COMPANY, THE 2006-01-12 US disclosed
EP-1561476-A1 DEODORANT COMPOSITION Takasago International Corporation (JP) 2005-08-10 EP disclosed