SCHEMBL525540

SCHEMBL525540

CCCCCCCCCCCCCCCCCC(=O)NC(CCC)(C(=O)O)N(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HSP90AA1 P07900 1/20 0.44
DNM1 Q05193 2/20 0.44
FAAH O00519 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
GPR84 Q9NQS5 7/20 0.40
PPARG P37231 7/20 0.40
PPARD Q03181 7/20 0.40
PPARA Q07869 7/20 0.40
HDAC11 Q96DB2 5/20 0.40
TSHR P16473 4/20 0.40
PTPN1 P18031 3/20 0.40
TLR2 O60603 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
FABP4 P15090 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40

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
SCHEMBL10393971 1.00 ALDH1A1 (0.49) ALDH1A1HSP90AA1DNM1FAAHHRH3
Glycinebetaine SCHEMBL8927007 0.87 CPT2 (0.41) ALDH1A1HSP90AA1DNM1FAAHHRH3
SCHEMBL11755295 0.81 HRH3 (0.58) FAAHHRH3MEN1KMT2APPARG
SCHEMBL28827909 0.78 EPHX2 (0.43) FAAHMEN1KMT2A
SCHEMBL9418791 0.78 HSP90AA1 (0.44) ALDH1A1HSP90AA1DNM1FAAHHRH3
SCHEMBL11589563 0.74 ALDH1A1 (0.51) ALDH1A1HSP90AA1DNM1FAAHHRH3
SCHEMBL7040097 0.73 ALDH1A1 (0.50) ALDH1A1HSP90AA1FAAHHRH3MEN1
Hydrochloric Acid SCHEMBL10397331 0.73 DNM1 (0.51) ALDH1A1HSP90AA1DNM1FAAHHRH3
SCHEMBL432074 0.73 HSP90AA1 (0.50) ALDH1A1HSP90AA1DNM1FAAHHRH3
SCHEMBL6553971 0.73 ALDH1A1 (0.50) ALDH1A1HSP90AA1FAAHHRH3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598113-A1 COSMETIC FOR HAIR CONTAINING CO-MODIFIED ORGANOPOLYSILOXANE Dow Corning Toray Co., Ltd. (JP) 2013-06-05 EP disclosed
EP-2598112-A1 COSMETIC FOR HAIR CONTAINING SUGAR ALCOHOL-MODIFIED SILICONE Dow Corning Toray Co., Ltd. (JP) 2013-06-05 EP disclosed
WO-2012015070-A1 COSMETIC FOR HAIR CONTAINING CO-MODIFIED ORGANOPOLYSILOXANE DOW CORNING TORAY CO., LTD. (JP) 2012-02-02 WO disclosed
WO-2012015069-A1 COSMETIC FOR HAIR CONTAINING SUGAR ALCOHOL-MODIFIED SILICONE DOW CORNING TORAY CO., LTD. (JP) 2012-02-02 WO disclosed
US-4476282-A CONDENSATION OR POLYMERIZATION OF ORGANOSILICON COMPOUNDS IN EMLUSIFIER TH. GOLDSCHMIDT AG (DE) 1984-10-09 US disclosed