SCHEMBL5293248

SCHEMBL5293248

CCOC(=O)c1oc2ccc(OCC3COCCN3C(=O)OC(C)(C)C)cc2c1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.49
▸ KDM4E B2RXH2 7/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPT P10636 1/20 0.46
▸ TSHR P16473 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ RAB9A P51151 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ BRPF1 P55201 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL5294751 0.91 KDM4E (0.51) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL8251140 0.80 KDM4E (0.47) USP2KDM4EALDH1A1TSHRHPGD
SCHEMBL1473531 0.80 KDM4E (0.47) USP2KDM4EALDH1A1TSHRHPGD
SCHEMBL25539639 0.74 MEN1 (0.41) MEN1KMT2A
SCHEMBL1472922 0.73 KDM4E (0.52) USP2KDM4EALDH1A1MAPTTSHR
SCHEMBL30149908 0.72 IL1B (0.39) USP2SMN1; SMN2
SCHEMBL20521428 0.71 USP30 (0.40) ALDH1A1HPGDNPC1SMN1; SMN2MEN1
SCHEMBL5294746 0.70 KDM4E (0.51) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL16821743 0.69 GPR119 (0.38) MEN1KMT2A
SCHEMBL19865925 0.69 GPR119 (0.38) MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007006714-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 — — WO disclosed
WO-2007006715-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 — — WO disclosed
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