SCHEMBL20401535

SCHEMBL20401535

CCCCCCC(O)C/C=C\CCCCCCCCNCC[N+]1=C(CCCCCCC/C=C\CC(O)CCCCCC)N(CC)CC1.CCOS(=O)(=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
FAAH O00519 2/20 0.35
TRPV1 Q8NER1 2/20 0.32

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
SCHEMBL20401529 0.90 FFAR1 (0.37) FFAR1FFAR4FAAHTRPV1
SCHEMBL20377944 0.90 FAAH (0.46) FFAR1FFAR4FAAHTRPV1
SCHEMBL4246963 0.82 FAAH (0.31) FAAH
SCHEMBL20377946 0.81 FAAH (0.47) FFAR1FFAR4FAAHTRPV1
Sulfuric Acid SCHEMBL4376501 0.75 EPHX2 (0.35) FAAH
SCHEMBL29153949 0.75 CNR2 (0.31) FAAH
SCHEMBL4246966 0.74 FAAH (0.32) FAAHTRPV1
SCHEMBL4246959 0.74 FAAH (0.32) FAAHTRPV1
SCHEMBL20389959 0.71 FAAH (0.55) FFAR1FFAR4FAAHTRPV1
SCHEMBL9314254 0.69 MGLL (0.34) FAAH

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