SCHEMBL17787116

SCHEMBL17787116

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCSSC(C)(C)CC(=O)NC[C@@H](O)CO

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 6/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ CNR2 P34972 4/20 0.42
▸ FAAH O00519 2/20 0.41
▸ ALOX12 P18054 1/20 0.39
▸ MAPT P10636 1/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KCNK3 O14649 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ EPHX2 P34913 1/20 0.34

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
SCHEMBL17787118 1.00 CNR1 (0.49) CNR1ALDH1A1CNR2FAAHALOX12
SCHEMBL17787117 1.00 CNR1 (0.49) CNR1ALDH1A1CNR2FAAHALOX12
SCHEMBL17793925 0.94 CNR1 (0.51) CNR1ALDH1A1CNR2FAAHTRPM8
SCHEMBL17793908 0.86 CNR1 (0.51) CNR1ALDH1A1CNR2FAAHALOX12
SCHEMBL19343062 0.84 CNR1 (0.47) CNR1ALDH1A1CNR2FAAHALOX12
SCHEMBL19328499 0.83 CNR1 (0.46) CNR1ALDH1A1CNR2FAAHALOX12
SCHEMBL17793982 0.83 CNR1 (0.46) CNR1ALDH1A1CNR2FAAHALOX12
SCHEMBL21644807 0.81 CNR1 (0.44) CNR1ALDH1A1CNR2FAAHALOX12
SCHEMBL19328506 0.81 CNR1 (0.44) CNR1ALDH1A1CNR2FAAHALOX12
SCHEMBL9905936 0.81 CNR1 (0.63) CNR1ALDH1A1CNR2FAAHALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016086136-A1 FATTY ACID CYSTEAMINE CONJUGATES OF CFTR MODULATORS AND THEIR USE IN TREATING MEDICAL DISORDERS CATABASIS PHARMACEUTICALS, INC. (US) 2016-06-02 — — WO disclosed
WO-2016086136-A1 FATTY ACID CYSTEAMINE CONJUGATES OF CFTR MODULATORS AND THEIR USE IN TREATING MEDICAL DISORDERS CATABASIS PHARMACEUTICALS, INC. (US) 2016-06-02 — — WO disclosed
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