SCHEMBL8251140

SCHEMBL8251140

CCOC(=O)c1oc2ccc(OC[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)cc2c1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ TSHR P16473 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ EPHA2 P29317 4/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ERBB2 P04626 1/20 0.43
▸ EPHB4 P54760 1/20 0.43

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
SCHEMBL1473531 1.00 KDM4E (0.47) KDM4EALDH1A1RAB9ANPC1TSHR
SCHEMBL5294746 0.91 KDM4E (0.51) KDM4ERAB9ANPC1EPHA2SMN1; SMN2
SCHEMBL1472922 0.85 KDM4E (0.52) KDM4EALDH1A1RAB9ANPC1TSHR
SCHEMBL5292472 0.84 EPHA2 (0.43) EPHA2ERBB2EPHB4
SCHEMBL5297191 0.84 EPHA2 (0.43) EPHA2ERBB2EPHB4
SCHEMBL1473383 0.84 EPHA2 (0.43) EPHA2ERBB2EPHB4
SCHEMBL27649066 0.82 NMT2 (0.51) KDM4EALDH1A1RAB9ANPC1HPGD
SCHEMBL5293248 0.80 USP2 (0.49) KDM4EALDH1A1RAB9ANPC1TSHR
SCHEMBL9214625 0.78 KDM4E (0.56) KDM4EALDH1A1HPGDMAPK1HSD17B10
SCHEMBL27669249 0.78 EPHA2 (0.49) ALDH1A1EPHA2ERBB2EPHB4

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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