SCHEMBL17793969

SCHEMBL17793969

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](CO)NC(=O)CCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.52
▸ CNR1 P21554 3/20 0.45
▸ FAAH O00519 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL17793920 0.92 EPHX2 (0.52) EPHX2CNR1FAAHCNR2ALDH1A1
SCHEMBL17793959 0.92 EPHX2 (0.48) EPHX2CNR1FAAHCNR2ALDH1A1
SCHEMBL17793927 0.91 EPHX2 (0.47) EPHX2CNR1FAAHCNR2ALDH1A1
SCHEMBL17794026 0.89 EPHX2 (0.45) EPHX2CNR1FAAHCNR2ALDH1A1
SCHEMBL17793910 0.89 EPHX2 (0.45) EPHX2CNR1FAAHCNR2ALDH1A1
SCHEMBL17787216 0.89 EPHX2 (0.53) EPHX2CNR1FAAHCNR2ALDH1A1
SCHEMBL17793991 0.88 EPHX2 (0.52) EPHX2CNR1FAAHCNR2ALDH1A1
SCHEMBL17793926 0.88 EPHX2 (0.51) EPHX2CNR1FAAHCNR2ALDH1A1
SCHEMBL17793924 0.88 EPHX2 (0.44) EPHX2CNR1FAAHCNR2ALDH1A1
SCHEMBL17793970 0.88 EPHX2 (0.44) EPHX2CNR1FAAHCNR2ALDH1A1

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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