SCHEMBL28118520

SCHEMBL28118520

CC(C)(C)OC(=O)NCC(O)CCl.CCCOC(=O)NO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
SERPINE1 P05121 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
CTSS P25774 4/20 0.33
CTSK P43235 4/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
CAPN1 P07384 1/20 0.32

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
SCHEMBL1224366 0.84 MEN1 (0.45) SYKKMT2AMEN1GAACA12
SCHEMBL1224364 0.84 MEN1 (0.45) SYKKMT2AMEN1GAACA12
SCHEMBL2749935 0.84 MEN1 (0.45) SYKKMT2AMEN1GAACA12
SCHEMBL570033 0.74 MEN1 (0.50) SYKKMT2AMEN1GAACA12
SCHEMBL4975556 0.74 ACHE (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3683917 0.74 MEN1 (0.47) SYKKMT2AMEN1GAACA12
SCHEMBL2369074 0.73 MEN1 (0.46) SYKKMT2AMEN1GAACA12
SCHEMBL12880606 0.73 MEN1 (0.46) SYKKMT2AMEN1GAACA12
SCHEMBL5352030 0.73 MEN1 (0.46) SYKKMT2AMEN1GAACA12
SCHEMBL17792645 0.72 CASR (0.44) SYKKMT2AMEN1GAACA12

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-106317072-A Heterocyclic compound for treatment of mycobacterial infections and use thereof 盟科医药技术(上海)有限公司 2017-01-11 CN disclosed