SCHEMBL19634732

SCHEMBL19634732

COC(=O)CN(CC(=O)O)C(=O)c1cccc(CN)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 3/20 0.56
▸ SLC7A5 Q01650 3/20 0.43
▸ CFD P00746 2/20 0.42
▸ GYS1 P13807 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ CYP4F2 P78329 2/20 0.39
▸ CYP4A11 Q02928 2/20 0.39
▸ HTR2C P28335 1/20 0.38

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
SCHEMBL23471242 0.84 HDAC3 (0.43) SLC7A5GYS1PPARGKMT2AL3MBTL1
SCHEMBL21015940 0.81 NR1H4 (0.42) GYS1PPARGKMT2AL3MBTL1NPC1
SCHEMBL23471101 0.78 HDAC3 (0.46) LOXL2SLC7A5KMT2ANPC1LMNA
SCHEMBL15601880 0.78 PPARG (0.52) SLC7A5GYS1PPARGKMT2AL3MBTL1
SCHEMBL19634703 0.76 HPGD (0.63) LOXL2PPARGKMT2AL3MBTL1NPC1
SCHEMBL23471099 0.76 HDAC3 (0.42) LOXL2SLC7A5NPC1LMNARAB9A
SCHEMBL21015942 0.75 NR1H4 (0.43) LOXL2NPC1LMNARAB9ASMN1; SMN2
SCHEMBL27926873 0.75 LOXL2 (0.69) LOXL2SLC7A5CFDKMT2ANPC1
SCHEMBL15592540 0.74 FOLH1 (0.46) SLC7A5GYS1PPARGKMT2AL3MBTL1
SCHEMBL19634694 0.74 HDAC6 (0.47) LOXL2PPARGKMT2ASMN1; SMN2MEN1

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-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 — — WO disclosed
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