SCHEMBL18936854

SCHEMBL18936854

CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NCCNCCNC(=O)/C=C/C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 7/20 0.59
▸ ALDH1A1 P00352 5/20 0.59
▸ FAAH O00519 2/20 0.56
▸ CNR2 P34972 3/20 0.49
▸ ALOX12 P18054 1/20 0.47
▸ MAPT P10636 3/20 0.47
▸ CYP19A1 P11511 2/20 0.46
▸ RXRA P19793 2/20 0.46
▸ PPARG P37231 2/20 0.46
▸ OXER1 Q8TDS5 2/20 0.46
▸ FFAR1 O14842 1/20 0.46
▸ PPARA Q07869 2/20 0.46
▸ EPHX2 P34913 3/20 0.44
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ SLC6A5 Q9Y345 1/20 0.41
▸ F7 P08709 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ F3 P13726 1/20 0.41
▸ PTGS1 P23219 1/20 0.41

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
SCHEMBL2191225 1.00 CNR1 (0.59) CNR1ALDH1A1FAAHCNR2ALOX12
SCHEMBL2188464 0.96 CNR1 (0.64) CNR1ALDH1A1FAAHCNR2ALOX12
SCHEMBL12417778 0.96 CNR1 (0.64) CNR1ALDH1A1FAAHCNR2ALOX12
SCHEMBL2188466 0.96 CNR1 (0.64) CNR1ALDH1A1FAAHCNR2ALOX12
SCHEMBL18936853 0.92 CNR1 (0.61) CNR1ALDH1A1FAAHCNR2ALOX12
SCHEMBL2189105 0.92 CNR1 (0.61) CNR1ALDH1A1FAAHCNR2ALOX12
SCHEMBL2191834 0.90 CNR1 (0.71) CNR1ALDH1A1FAAHCNR2ALOX12
SCHEMBL18936851 0.88 CNR1 (0.66) CNR1ALDH1A1FAAHCNR2ALOX12
SCHEMBL2190833 0.88 CNR1 (0.66) CNR1ALDH1A1FAAHCNR2ALOX12
SCHEMBL2189516 0.87 CNR1 (0.57) CNR1ALDH1A1FAAHCNR2ALOX12

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
EP-2521447-B1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS INC (US) 2017-06-14 — — EP claimed
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