SCHEMBL11889802

SCHEMBL11889802

CC(C)(C)COC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(O)cc3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 15/20 0.57
▸ USP2 O75604 3/20 0.57
▸ HSD17B10 Q99714 3/20 0.57
▸ TP53 P04637 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ KDM4E B2RXH2 4/20 0.57
▸ LMNA P02545 4/20 0.57
▸ GAA P10253 2/20 0.57
▸ ALDH1A1 P00352 5/20 0.54
▸ HPGD P15428 2/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ RAB9A P51151 5/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ MCL1 Q07820 2/20 0.49

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
SCHEMBL11889801 0.89 MAPT (0.74) MAPTUSP2HSD17B10TP53MAPK1
SCHEMBL2455257 0.85 MAPT (0.64) MAPTUSP2HSD17B10TP53MAPK1
SCHEMBL2454198 0.85 MAPT (0.64) MAPTUSP2HSD17B10TP53MAPK1
SCHEMBL2459317 0.85 MAPT (0.57) MAPTUSP2HSD17B10TP53MAPK1
SCHEMBL11889746 0.83 MAPT (0.55) MAPTUSP2HSD17B10TP53MAPK1
SCHEMBL11889651 0.83 MAPT (0.65) MAPTUSP2TP53MAPK1KDM4E
SCHEMBL11889740 0.82 MAPT (0.65) MAPTUSP2HSD17B10TP53MAPK1
SCHEMBL12306055 0.81 RAB9A (0.63) MAPTUSP2HSD17B10KDM4ELMNA
SCHEMBL11889725 0.81 MAPT (0.56) MAPTUSP2TP53MAPK1KDM4E
SCHEMBL11889739 0.81 CA12 (0.60) MAPTUSP2MAPK1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101035777-B HCV replication modulators ANGELETTI P IST RICHERCHE BIO 2013-01-02 — — CN disclosed
EP-1799663-B1 Modulators of HCV replication ANGELETTI P IST RICHERCHE BIO (IT) 2012-08-01 — — EP disclosed
CN-101035777-A HCV replication modulators ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 — — CN disclosed
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