SCHEMBL11889747

SCHEMBL11889747

COc1cccc(COC(=O)N2CCN(c3ccc(C(=O)Nc4ccc(O)cc4)cc3)CC2)c1OC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.52
▸ MAPT P10636 8/20 0.50
▸ LMNA P02545 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ GAA P10253 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ NAMPT P43490 2/20 0.49
▸ RAB9A P51151 5/20 0.48
▸ GFER P55789 1/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ NR4A1 P22736 1/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ TSHR P16473 1/20 0.47

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
SCHEMBL11889773 0.93 MAPT (0.54) NPC1MAPTLMNAPOLBGAA
SCHEMBL11889725 0.85 MAPT (0.56) NPC1MAPTLMNAPOLBGAA
SCHEMBL11889855 0.84 KMT2A (0.53) NPC1MAPTLMNAPOLBGAA
SCHEMBL11889599 0.83 F13A1 (0.53) NPC1MAPTLMNAPOLBGAA
SCHEMBL11889801 0.82 MAPT (0.74) NPC1MAPTLMNAPOLBGAA
SCHEMBL11889586 0.81 MAPT (0.58) NPC1MAPTLMNAGAAKDM4E
SCHEMBL12306055 0.81 RAB9A (0.63) NPC1MAPTLMNAGAAKDM4E
SCHEMBL11889651 0.80 MAPT (0.65) NPC1MAPTLMNAGAAKDM4E
SCHEMBL11889802 0.78 MAPT (0.57) NPC1MAPTLMNAGAAKDM4E
SCHEMBL2459317 0.78 MAPT (0.57) NPC1MAPTLMNAPOLBGAA

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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