SCHEMBL20401529

SCHEMBL20401529

CCCCCCC(O)C/C=C\CCCCCCCCNCCN1CC[N+](CC)=C1CCCCCCC/C=C\CC(O)CCCCCC.CCOS(=O)(=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
FAAH O00519 2/20 0.35
TRPV1 Q8NER1 2/20 0.32
EPHX2 P34913 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL20401535 0.90 FFAR1 (0.36) FFAR1FFAR4FAAHTRPV1
SCHEMBL20377946 0.89 FAAH (0.47) FFAR1FFAR4FAAHTRPV1EPHX2
SCHEMBL4246966 0.82 FAAH (0.32) FAAHTRPV1EPHX2
SCHEMBL4246959 0.82 FAAH (0.32) FAAHTRPV1EPHX2
SCHEMBL20377944 0.81 FAAH (0.46) FFAR1FFAR4FAAHTRPV1EPHX2
SCHEMBL20389959 0.80 FAAH (0.55) FFAR1FFAR4FAAHTRPV1EPHX2
SCHEMBL9646016 0.76 RECQL (0.35) EPHX2
SCHEMBL9814332 0.76 RECQL (0.35) EPHX2
SCHEMBL4246963 0.73 FAAH (0.31) FAAHEPHX2
Hydrochloric Acid SCHEMBL11061516 0.72 EPHX2 (0.32) TRPV1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018136318-A1 MANUFACTURE OF ABSORBENT PAPER WITH LOW CHARGE DENSITY IMIDAZOLINIUM CONTAINING DEBONDER COMPOSITIONS GPCP IP HOLDINGS LLC (US) 2018-07-26 WO disclosed