SCHEMBL460853

SCHEMBL460853

CCCCCCCCC[C]1CC(C)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
EBP Q15125 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
THRB P10828 2/20 0.35
TSHR P16473 1/20 0.35
MAOA P21397 1/20 0.34
PRKCA P17252 1/20 0.33
EPHX1 P07099 1/20 0.33
THRA P10827 1/20 0.33
SCD O00767 1/20 0.33
ESR1 P03372 2/20 0.32
ADRA2A P08913 2/20 0.32
ADORA3 P0DMS8 2/20 0.32
TACR2 P21452 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
KDM4E B2RXH2 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
SCHEMBL11869766 1.00 SMN1; SMN2 (0.41) SMN1; SMN2EBPSIGMAR1ALDH1A1CYP1A2
SCHEMBL6130975 1.00 SMN1; SMN2 (0.41) SMN1; SMN2EBPSIGMAR1ALDH1A1CYP1A2
SCHEMBL2049887 1.00 SMN1; SMN2 (0.41) SMN1; SMN2EBPSIGMAR1ALDH1A1CYP1A2
SCHEMBL8039434 0.75 CYP1A2 (0.34) EBPSIGMAR1ALDH1A1CYP1A2EPHX1
SCHEMBL11310474 0.74 TSHR (0.44) ALDH1A1THRBTSHRSCDESR1
SCHEMBL5172518 0.70 TSHR (0.40) EBPSIGMAR1ALDH1A1THRBTSHR
SCHEMBL11304936 0.68 TSHR (0.38) ALDH1A1CYP1A2THRBTSHREPHX1
SCHEMBL168713 0.68 TSHR (0.38) ALDH1A1CYP1A2THRBTSHREPHX1
SCHEMBL2868810 0.68 TSHR (0.38) ALDH1A1CYP1A2THRBTSHREPHX1
SCHEMBL5597049 0.68 TSHR (0.38) ALDH1A1CYP1A2THRBTSHREPHX1

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
US-20160166491-A1 DEODORANT COMPOSITION AND DEODORANT AGENT MANDOM CORPORATION (JP) 2016-06-16 US disclosed
US-8586622-B2 Laminin-332 product on stimulating composition SHISEIDO COMPANY, LTD. (JP) 2013-11-19 US disclosed
EP-2484355-A1 LAMININ-332 PRODUCTION STIMULATING COMPOSITION Shiseido Company, Ltd. (JP) 2012-08-08 EP disclosed
US-20120184593-A1 LAMININ-332 PRODUCTION STIMULATING COMPOSITION SHISEIDO COMPANY, LTD (JP) 2012-07-19 US disclosed
US-20120122951-A1 SKIN-WHITENING AGENT AND COSMETIC METHOD FOR WHITENING SKIN SHISEIDO COMPANY, LTD. 2012-05-17 US disclosed
EP-2415453-A1 SKIN-WHITENING AGENT AND COSMETIC METHOD FOR WHITENING SKIN Shiseido Company, Ltd. (JP) 2012-02-08 EP disclosed
US-20120022160-A1 COMPOSITION FOR EXTERNAL USE ON SKIN SHISEIDO COMPANY LTD. (JP) 2012-01-26 US disclosed
CN-101312996-B Water soluble copolymer possessing alkyl modified carboxyl SUMITOMO SEIKA CHEMICALS 2011-03-09 CN disclosed
CN-101312996-A Water soluble copolymer possessing alkyl modified carboxyl SUMITOMO SEIKA CHEMICALS (JP) 2008-11-26 CN disclosed