SCHEMBL19984786

SCHEMBL19984786

CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
OPRD1 P41143 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KLK7 P49862 1/20 0.40
USP30 Q70CQ3 1/20 0.39
F2 P00734 1/20 0.39
UCHL1 P09936 1/20 0.38
FKBP1A P62942 1/20 0.38
BACE1 P56817 1/20 0.38
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL19984785 1.00 KMT2A (0.47) KMT2AMEN1ALDH1A1NPC1LMNA
SCHEMBL4229005 0.89 KMT2A (0.55) KMT2AMEN1ALDH1A1NPC1LMNA
SCHEMBL4229009 0.89 KMT2A (0.55) KMT2AMEN1ALDH1A1NPC1LMNA
SCHEMBL14599774 0.86 KMT2A (0.52) KMT2AMEN1ALDH1A1NPC1LMNA
SCHEMBL14599775 0.86 KMT2A (0.52) KMT2AMEN1ALDH1A1NPC1LMNA
SCHEMBL29625036 0.80 KMT2A (0.42) KMT2AMEN1UCHL1BACE1
SCHEMBL4220901 0.80 KMT2A (0.46) KMT2AMEN1ALDH1A1NPC1LMNA
SCHEMBL4220908 0.80 KMT2A (0.46) KMT2AMEN1ALDH1A1NPC1LMNA
SCHEMBL5035720 0.79 PRCP (0.48) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL22892446 0.79 MEN1 (0.50) KMT2AMEN1ALDH1A1NPC1LMNA

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-2018051255-A1 CYCLIC SUBSTITUTED-1,3,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-22 WO disclosed