SCHEMBL29137736

SCHEMBL29137736

CC(OC(=O)OC(C)(C)C)c1ccc(N)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.41
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
AAK1 Q2M2I8 4/20 0.33
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PDE2A O00408 1/20 0.33
ALDH1A1 P00352 2/20 0.33
ELANE P08246 1/20 0.32
HIF1A Q16665 2/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
PTGS2 P35354 3/20 0.32
PTGS1 P23219 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL29137734 1.00 APP (0.41) APPHDAC1HDAC6AAK1AKR1C3
SCHEMBL29137717 0.88 HDAC1 (0.40) APPHDAC1HDAC6AKR1C3AKR1C2
SCHEMBL30768173 0.81 HDAC1 (0.39) APPHDAC1HDAC6AKR1C3AKR1C2
SCHEMBL29137719 0.81 HDAC1 (0.39) APPHDAC1HDAC6AKR1C3AKR1C2
SCHEMBL29137726 0.79 ATM (0.41) APPAKR1C3AKR1C2MAPTALDH1A1
SCHEMBL29137724 0.79 ATM (0.41) APPAKR1C3AKR1C2MAPTALDH1A1
SCHEMBL8282320 0.72 ALDH1A1 (0.43) APPHDAC1HDAC6AKR1C2MAPT
SCHEMBL4826032 0.71 ALDH1A1 (0.52) HDAC1HDAC6MAPTNPC1RAB9A
SCHEMBL355461 0.70 HDAC1 (0.51) HDAC1HDAC6MAPTNPC1RAB9A
SCHEMBL13172090 0.69 AKR1C3 (0.47) APPHDAC1HDAC6AKR1C3AKR1C2

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-117384153-A Methyltransferase inhibitors and uses thereof 上海赛岚生物科技有限公司 2024-01-12 CN disclosed