SCHEMBL5294746

SCHEMBL5294746

Cc1c(C(=O)O)oc2ccc(OCC3CN(C(=O)OC(C)(C)C)CCO3)cc12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.51
▸ EPHA2 P29317 4/20 0.46
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ ERBB2 P04626 1/20 0.44
▸ EPHB4 P54760 1/20 0.44
▸ PDK1 Q15118 2/20 0.43
▸ P2RX3 P56373 3/20 0.41
▸ P2RX2 Q9UBL9 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CSF1R P07333 1/20 0.40
▸ MAPT P10636 1/20 0.40

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 0.91 KDM4E (0.47) KDM4EEPHA2NPC1RAB9AERBB2
SCHEMBL8251140 0.91 KDM4E (0.47) KDM4EEPHA2NPC1RAB9AERBB2
SCHEMBL1475583 0.84 KDM4E (0.57) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5287827 0.84 KDM4E (0.57) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5288124 0.84 KDM4E (0.57) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9214625 0.80 KDM4E (0.56) KDM4EMAPT
SCHEMBL1852171 0.80 PDK1 (0.51) EPHA2ERBB2EPHB4PDK1P2RX3
SCHEMBL5294751 0.79 KDM4E (0.51) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9210866 0.78 KDM4E (0.49) KDM4EEPHA2ERBB2EPHB4PDK1
SCHEMBL5297191 0.78 EPHA2 (0.43) EPHA2ERBB2EPHB4PDK1CSF1R

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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