SCHEMBL5294751

SCHEMBL5294751

Cc1c(C(=O)O)oc2ccc(OCC3COCCN3C(=O)OC(C)(C)C)cc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.51
▸ MAPT P10636 1/20 0.43
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ALOX5AP P20292 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL5293248 0.91 USP2 (0.49) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5294746 0.79 KDM4E (0.51) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL25539639 0.76 MEN1 (0.41) ALOX5APMEN1KMT2A
SCHEMBL30149908 0.73 IL1B (0.39) SMN1; SMN2ALOX5AP
SCHEMBL20521428 0.73 USP30 (0.40) NPC1SMN1; SMN2ALOX5APALDH1A1MEN1
SCHEMBL1475583 0.71 KDM4E (0.57) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5288124 0.71 KDM4E (0.57) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5287827 0.71 KDM4E (0.57) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1473531 0.70 KDM4E (0.47) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8251140 0.70 KDM4E (0.47) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1

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
Send feedback