SCHEMBL5878997

SCHEMBL5878997

CCCCCC(C)CCCCC(CCC)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.64
AKR1A1 P14550 1/20 0.64
CHRM3 P20309 1/20 0.64
HTR2A P28223 1/20 0.64
HTR2C P28335 1/20 0.64
ADRA1A P35348 1/20 0.64
HRH1 P35367 1/20 0.64
DRD3 P35462 1/20 0.64
SLC6A3 Q01959 1/20 0.64
HDAC1 Q13547 1/20 0.64
HDAC2 Q92769 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
ACE2 Q9BYF1 1/20 0.63
CA2 P00918 2/20 0.55
MAPK1 P28482 1/20 0.55
GRIK1 P39086 3/20 0.55
GRIK2 Q13002 3/20 0.55
SLC1A2 P43004 3/20 0.55
SLC1A1 P43005 3/20 0.55
GPR84 Q9NQS5 3/20 0.48

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
SCHEMBL5878854 0.98 ACE2 (0.67) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5879041 0.98 ACE2 (0.67) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5879054 0.96 ACE2 (0.65) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5879053 0.96 ACE2 (0.65) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL29124944 0.94 ACE2 (0.67) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL29125022 0.94 ACE2 (0.67) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5879034 0.94 CHRM1 (0.61) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL347173 0.94 ACE2 (0.67) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5879072 0.94 CHRM1 (0.61) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2223259 0.94 ACE2 (0.71) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6992057-B2 Fatty acids, soaps, surfactant systems, and consumer products based thereon THE PROCTER & GAMBLE COMPANY (US) 2006-01-31 US disclosed
US-6949502-B2 Fatty acids, soaps, surfactant systems, and consumer products based thereon THE PROCTER & GAMBLE COMPANY (US) 2005-09-27 US disclosed
US-20050153869-A1 Fatty acids, soaps, surfactant systems, and consumer products based thereon THE PROCTER & GAMBLE COMPANY 2005-07-14 US disclosed
US-6916777-B2 Fatty acids, soaps, surfactant systems, and consumer products based thereon THE PROCTER & GAMBLE COMPANY (US) 2005-07-12 US disclosed
US-6890894-B2 Fatty acids, soaps surfactant systems, and consumer products based thereon THE PROCTER & GAMBLE COMPANY (US) 2005-05-10 US disclosed
US-20040097392-A1 Fatty acids, soaps, surfactant systems, and consumer products based thereon THE PROCTER & GAMBLE COMPANY 2004-05-20 US disclosed
US-20040092418-A1 Fatty acids, soaps surfactant systems, and consumer products based thereon CONNOR DANIEL STEDMAN (US) 2004-05-13 US disclosed
US-20040092419-A1 Fatty acids, soaps, surfactant systems, and consumer products based thereon THE PROCTER & GAMBLE COMPANY 2004-05-13 US disclosed
US-20040087461-A1 Fatty acids, soaps, surfactant systems, and consumer products based thereon THE PROCTER & GAMBLE COMPANY 2004-05-06 US disclosed
US-20030236180-A1 Fatty acids, soaps, surfactant systems, and consumer products based thereon THE PROCTER & GAMBLE COMPANY 2003-12-25 US disclosed
US-6602845-B2 Fatty acids, soaps, surfactant systems, and consumer products based thereon THE PROCTER & GAMBLE COMPANY 2003-08-05 US disclosed
US-20030100469-A1 Fatty acids, soaps, surfactant systems, and consumer products based thereon CONNOR DANIEL STEDMAN (US) 2003-05-29 US disclosed
US-6395701-B1 MIXTURE PROCTER & GAMBLE COMPANY, THE 2002-05-28 US disclosed
EP-1025190-A2 FATTY ACIDS, SOAPS, SURFACTANT SYSTEMS, AND CONSUMER PRODUCTS BASED THEREON THE PROCTER & GAMBLE COMPANY (US) 2000-08-09 EP disclosed
WO-1999020722-A2 FATTY ACIDS, SOAPS, SURFACTANT SYSTEMS, AND CONSUMER PRODUCTS BASED THEREON THE PROCTER & GAMBLE COMPANY (US) 1999-04-29 WO disclosed