SCHEMBL21210017

SCHEMBL21210017

CCCOC(=O)C(CNC(=O)OC(C)(C)C)CC(C)N1CC(F)C1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
SYK P43405 1/20 0.32
EPHX1 P07099 1/20 0.32
CTSK P43235 5/20 0.31
CTSL P07711 2/20 0.31
HCRTR2 O43614 1/20 0.31
CTSS P25774 2/20 0.31
CTSB P07858 1/20 0.31
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PSMB5 P28074 1/20 0.30

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
SCHEMBL14744271 0.73 KMT2A (0.38) KMT2AMEN1GAAALDH1A1TSHR
SCHEMBL25243412 0.68 MEN1 (0.41) KMT2AMEN1GAAAAK1ALDH1A1
SCHEMBL4519114 0.66 CTSL (0.42) KMT2AMEN1GAAALDH1A1TSHR
SCHEMBL27566114 0.66 CTSL (0.42) KMT2AMEN1GAAALDH1A1TSHR
SCHEMBL14744085 0.65 CTSK (0.41) KMT2AMEN1GAAALDH1A1EPHX1
SCHEMBL17079746 0.65 MEN1 (0.47) KMT2AMEN1GAAL3MBTL1SYK
SCHEMBL24261281 0.65 KMT2A (0.42) KMT2AMEN1GAAALDH1A1TSHR
SCHEMBL14631440 0.65 MEN1 (0.45) KMT2AMEN1GAAAAK1ALDH1A1
SCHEMBL13109049 0.65 MEN1 (0.61) KMT2AMEN1GAAAAK1SYK
SCHEMBL13109033 0.65 MEN1 (0.61) KMT2AMEN1GAAAAK1SYK

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-2019148132-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 WO disclosed