SCHEMBL19629931

SCHEMBL19629931

CCCCCCCC/C=C\CCCCCCCCN(CCCCCCCC/C=C\CCCCCCCC)CCOCCI

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.39
TRPV1 Q8NER1 1/20 0.39
LPAR1 Q92633 1/20 0.38
LPAR2 Q9HBW0 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38
EPHX2 P34913 2/20 0.37

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
SCHEMBL1439820 0.84 MEN1 (0.50) TRPV1LPAR1LPAR2LPAR3EPHX2
SCHEMBL818049 0.84 MEN1 (0.50) TRPV1LPAR1LPAR2LPAR3EPHX2
SCHEMBL20143663 0.83 DNM1 (0.44) LPAR1LPAR2LPAR3EPHX2
SCHEMBL10066198 0.83 SLC6A5 (0.38) FAAHTRPV1LPAR1LPAR2LPAR3
SCHEMBL10065902 0.83 SLC6A5 (0.38) FAAHTRPV1LPAR1LPAR2LPAR3
SCHEMBL12458461 0.83 SLC6A5 (0.38) FAAHTRPV1LPAR1LPAR2LPAR3
SCHEMBL13679072 0.83 SLC6A5 (0.38) FAAHTRPV1LPAR1LPAR2LPAR3
SCHEMBL14597545 0.81 SLC6A5 (0.38) FAAHTRPV1LPAR1LPAR2LPAR3
SCHEMBL5526732 0.81 DNM1 (0.46) LPAR1LPAR2LPAR3EPHX2
SCHEMBL10065906 0.81 MEN1 (0.43) TRPV1LPAR1LPAR2LPAR3EPHX2

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-2017201342-A1 POLYNUCLEOTIDES ENCODING JAGGED1 FOR THE TREATMENT OF ALAGILLE SYNDROME MODERNATX, INC. (US) 2017-11-23 WO disclosed