SCHEMBL7785247

SCHEMBL7785247

CCCCCCCCCCCC(=O)NC(C)(NCCO)NC(=O)CCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
SELP P16109 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HSP90AA1 P07900 1/20 0.47
CNR1 P21554 3/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TRPV1 Q8NER1 1/20 0.47
MAPT P10636 1/20 0.47
ALOX12 P18054 1/20 0.47
BLM P54132 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NAAA Q02083 1/20 0.46
FAAH O00519 5/20 0.46
DNM1 Q05193 1/20 0.45
CNR2 P34972 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL116781 0.82 HRH3 (0.48) HRH3SELPALDH1A1HSP90AA1CNR1
SCHEMBL115311 0.82 HRH3 (0.48) HRH3SELPALDH1A1HSP90AA1CNR1
SCHEMBL114633 0.82 HRH3 (0.48) HRH3SELPALDH1A1HSP90AA1CNR1
SCHEMBL24507360 0.76 HSP90AA1 (0.59) HRH3ALDH1A1HSP90AA1MEN1KMT2A
SCHEMBL12057493 0.76 HSP90AA1 (0.59) HRH3ALDH1A1HSP90AA1MEN1KMT2A
SCHEMBL12920382 0.76 HSP90AA1 (0.59) HRH3ALDH1A1HSP90AA1MEN1KMT2A
SCHEMBL23378025 0.76 HSP90AA1 (0.59) HRH3ALDH1A1HSP90AA1MEN1KMT2A
SCHEMBL13701707 0.76 HSP90AA1 (0.59) HRH3ALDH1A1HSP90AA1MEN1KMT2A
SCHEMBL10689611 0.75 ALDH1A1 (0.63) HRH3ALDH1A1HSP90AA1HPGDMEN1
SCHEMBL8206737 0.75 HRH3 (0.58) HRH3ALDH1A1HSP90AA1MEN1KMT2A

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-0801672-B1 CLEAR, CONCENTRATED LIQUID FABRIC SOFTENER COMPOSITIONS COLGATE PALMOLIVE CO (US) 2001-10-04 EP disclosed
EP-0801672-A1 CLEAR, CONCENTRATED LIQUID FABRIC SOFTENER COMPOSITIONS Colgate-Palmolive Company (US) 1997-10-22 EP disclosed
US-5656585-A AQUEOUS MICROEMULSION CONCENTRATE COMPRISING DIESTER QUATERNARY AMMONIUM SURFACTANT FABRIC SOFTENER, DIAMIDO AMMONIUM SURFACTANT FABRIC SOFTENER, ORGANIC SOLVENT, OPTIONAL WATER IMMISCIBLE OIL PERFUME, CO-SOFTENER COLGATE-PALMOLIVE COMPANY (US) 1997-08-12 US disclosed
WO-1996019552-A1 CLEAR, CONCENTRATED LIQUID FABRIC SOFTENER COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 1996-06-27 WO disclosed
US-5525245-A CONTAINING DIESTER QUATERNARY AMMONIUM AND/OR DIAMIDE AMMONIUM SURFACTANT, ORGANIC SOLVENT, WATER, OPTIONAL PERFUME OIL, FATTY CO-SOFTENER COLGATE-PALMOLIVE COMPANY (US) 1996-06-11 US disclosed