SCHEMBL9329694

SCHEMBL9329694

CCCCCCCC/C=C\CCCCCCCCNCCC(N)CN

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.45
FAAH O00519 3/20 0.43
TRPV1 Q8NER1 1/20 0.43
SLC6A5 Q9Y345 3/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
SOAT1 P35610 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL11826637 0.90 ALDH1A1 (0.52) ALDH1A1TSHR
SCHEMBL28667034 0.90 ALDH1A1 (0.52) ALDH1A1TSHR
SCHEMBL1459003 0.90 ALDH1A1 (0.52) ALDH1A1TSHR
SCHEMBL8510981 0.89 PPARA (0.46) PPARAFAAHTRPV1SLC6A5ALDH1A1
SCHEMBL8510987 0.89 PPARA (0.46) PPARAFAAHTRPV1SLC6A5ALDH1A1
SCHEMBL16389936 0.88 SLC6A5 (0.47) PPARAFAAHTRPV1SLC6A5ALDH1A1
SCHEMBL9099467 0.83 PPARA (0.47) PPARAFAAHTRPV1SLC6A5ALDH1A1
SCHEMBL9099455 0.83 PPARA (0.47) PPARAFAAHTRPV1SLC6A5ALDH1A1
SCHEMBL28352525 0.83 ALDH1A1 (0.52) ALDH1A1TSHR
SCHEMBL444323 0.83 FAAH (0.47) FAAHTRPV1SLC6A5MEN1TP53

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-0403751-B1 Polycarbonic acid imidazolines, process for their preparation and their use in detergents SCHAEFER CHEM INST (CH) 1994-03-23 EP disclosed
US-5151522-A Condensation of imidazoline compounds with acrylic acid, methacrylic acid or maleic acid CHEMISCHES INSTITUT SCHAEFER AG (CH) 1992-09-29 US disclosed
US-5049315-A Polycarboxylic acid imidazolines, process for the preparation thereof and cleaning agents containing them CHEMISCHES INSTUTUT SCHAEFER AG (DE) 1991-09-17 US disclosed
EP-0403751-A1 Polycarbonic acid imidazolines, process for their preparation and their use in detergents CHEMISCHES INSTITUT SCHAEFER AG (CH) 1990-12-27 EP disclosed
EP-0133375-B1 COMPRESSION IGNITION FUELS, COMPOSITIONS AND ADDITIVE PACKAGES FOR THE PRODUCTION THEREOF AND THE USE THEREOF ETHYL CORPORATION (US) 1988-05-25 EP disclosed