SCHEMBL4072145

SCHEMBL4072145

CCCCCCCCC1=CC2C(C=C1)C1C=CC=CC1C2COC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.33
ACP1 P24666 1/20 0.33
CDC25B P30305 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
NLRP3 Q96P20 2/20 0.31
FAAH O00519 1/20 0.30
ALOX5 P09917 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
SCHEMBL4075689 0.95 PTPN1 (0.35) PTPN1ACP1CDC25BALDH1A1CYP3A4
SCHEMBL9964233 0.89 PTPN1 (0.32) PTPN1ACP1CDC25BALDH1A1CYP3A4
SCHEMBL9964234 0.77 NLRP3 (0.35) CYP3A4CYP2C19NLRP3
SCHEMBL4067419 0.76 NLRP3 (0.36) NLRP3
SCHEMBL4067956 0.76 NLRP3 (0.38) ALDH1A1CYP3A4MAPTCYP2C19HSD17B10
Heptane SCHEMBL6963689 0.60 ALDH1A1 (0.76) ALDH1A1HSD17B10FAAH
SCHEMBL32666031 0.59 LIPG (0.41) ALDH1A1CYP3A4HSD17B10
SCHEMBL31515427 0.58 ACHE (0.33) ALDH1A1CYP3A4HSD17B10
Hexane SCHEMBL20638505 0.58 ALDH1A1 (0.80) ALDH1A1HSD17B10FAAH
SCHEMBL27709903 0.57 LIPG (0.32) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160367091-A9 Personal Care Compositions Comprising a Di-Amido Gellant and Methods of Using THE PROCTER & GAMBLE COMPANY 2016-12-22 US disclosed
US-8168579-B2 Fluid detergent compositions comprising a di-amido gellant, and processes for making THE PROCTER AND GAMBLE COMPANY (US) 2012-05-01 US disclosed
US-20110220536-A1 Fluid Detergent Compositions Comprising a Di-Amido Gellant, and Processes for Making THE PROCTER & GAMBLE COMPANY 2011-09-15 US disclosed