SCHEMBL17793933

SCHEMBL17793933

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ CNR2 P34972 3/20 0.38
▸ ALOX12 P18054 1/20 0.37
▸ FAAH O00519 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ EPHX2 P34913 1/20 0.33
▸ CAPN1 P07384 1/20 0.32
▸ CA2 P00918 1/20 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
SCHEMBL17790883 1.00 CNR1 (0.43) CNR1ALDH1A1CNR2ALOX12FAAH
SCHEMBL17790864 0.89 CNR1 (0.41) CNR1ALDH1A1CNR2ALOX12FAAH
SCHEMBL17790888 0.88 CNR1 (0.45) CNR1ALDH1A1CNR2ALOX12FAAH
SCHEMBL17790862 0.88 CNR1 (0.45) CNR1ALDH1A1CNR2ALOX12FAAH
SCHEMBL19328452 0.88 CNR1 (0.45) CNR1ALDH1A1CNR2ALOX12FAAH
SCHEMBL19656727 0.84 ALDH1A1 (0.36) CNR1ALDH1A1CNR2ALOX12FAAH
SCHEMBL19343064 0.84 CNR1 (0.49) CNR1ALDH1A1CNR2ALOX12FAAH
SCHEMBL17793922 0.83 CNR1 (0.48) CNR1ALDH1A1CNR2ALOX12FAAH
Methane SCHEMBL19640570 0.83 CNR1 (0.41) CNR1ALDH1A1CNR2ALOX12FAAH
SCHEMBL19640775 0.83 CNR1 (0.41) CNR1ALDH1A1CNR2ALOX12FAAH

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-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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