SCHEMBL29699752

SCHEMBL29699752

COc1ccc(CNC(=O)[C@@H](C)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
NPC1 O15118 4/20 0.58
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
GAA P10253 1/20 0.58
PKM P14618 1/20 0.57
ANPEP P15144 1/20 0.57
LMNA P02545 1/20 0.55
HPGD P15428 2/20 0.54
EPHX2 P34913 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CARM1 Q86X55 1/20 0.52
PRMT6 Q96LA8 1/20 0.52

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
SCHEMBL29699722 1.00 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL12757447 0.88 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL10638009 0.88 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL17278337 0.85 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL18814446 0.85 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL9201083 0.85 CARM1 (0.69) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL11735404 0.85 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL10833723 0.84 GAA (0.56) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL10690659 0.84 GAA (0.56) ALDH1A1MEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL5967422 0.84 CARM1 (0.71) ALDH1A1MEN1KMT2ANPC1RAB9A

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
CN-114685473-A 5-alkyl-2-pyrazole-oxazolidine-4-ketone derivative and application thereof 杭州百新生物医药科技有限公司 2022-07-01 CN disclosed