SCHEMBL17790858

SCHEMBL17790858

CC/C=C\C/C=C\CCC(=O)NCCSSC(C)(C)CNC(=O)c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SREBF2 Q12772 1/20 0.63
▸ ALDH1A1 P00352 3/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALOX12 P18054 1/20 0.39
▸ FAAH O00519 3/20 0.39
▸ THRB P10828 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PTAFR P25105 1/20 0.36

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
SCHEMBL17785131 1.00 SREBF2 (0.63) SREBF2ALDH1A1CNR1RAB9ANPC1
SCHEMBL17785133 1.00 SREBF2 (0.63) SREBF2ALDH1A1CNR1RAB9ANPC1
SCHEMBL17791065 0.98 SREBF2 (0.60) SREBF2ALDH1A1CNR1RAB9ANPC1
SCHEMBL17790759 0.96 SREBF2 (0.63) SREBF2ALDH1A1CNR1RAB9ANPC1
SCHEMBL17790765 0.95 SREBF2 (0.72) SREBF2ALDH1A1CNR1RAB9ANPC1
SCHEMBL17790876 0.91 SREBF2 (0.72) SREBF2ALDH1A1CNR1RAB9ANPC1
SCHEMBL6520925 0.89 SREBF2 (0.76) SREBF2ALDH1A1CNR1RAB9ANPC1
SCHEMBL10331465 0.89 SREBF2 (0.76) SREBF2ALDH1A1CNR1RAB9ANPC1
SCHEMBL6526122 0.85 SREBF2 (0.76) SREBF2ALDH1A1CNR1RAB9ANPC1
SCHEMBL6526119 0.85 SREBF2 (0.76) SREBF2ALDH1A1CNR1RAB9ANPC1

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-2016086103-A1 FATTY ACID CYSTEAMINE CONJUGATES AND THEIR USE AS ACTIVATORS OF AUTOPHAGY CATABASIS PHARMACEUTICALS, INC. (US) 2016-06-02 — — WO disclosed
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