SCHEMBL16020792

SCHEMBL16020792

CC(C)(C)OC(=O)N1C2CCCCC2C[C@H]1C(=O)OCC(=O)c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CACNA1B Q00975 1/20 0.33

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
SCHEMBL16062577 1.00 MAPT (0.40) MAPTKMT2ANPC1RAB9AALDH1A1
SCHEMBL16948497 0.98 KMT2A (0.39) MAPTKMT2ANPC1RAB9AALDH1A1
SCHEMBL10182417 0.91 KMT2A (0.41) MAPTKMT2ANPC1RAB9AALDH1A1
SCHEMBL12752017 0.91 KMT2A (0.41) MAPTKMT2ANPC1RAB9AALDH1A1
SCHEMBL15773712 0.91 KMT2A (0.41) MAPTKMT2ANPC1RAB9AALDH1A1
SCHEMBL15586735 0.91 KMT2A (0.41) MAPTKMT2ANPC1RAB9AALDH1A1
SCHEMBL15069645 0.91 KDM2B (0.34) MAPTKMT2ANPC1RAB9AALDH1A1
SCHEMBL14705324 0.83 ALDH1A1 (0.34) KMT2ANPC1RAB9AALDH1A1MEN1
SCHEMBL15804517 0.83 ALDH1A1 (0.34) KMT2ANPC1RAB9AALDH1A1MEN1
SCHEMBL883147 0.83 KMT2A (0.41) MAPTKMT2ANPC1RAB9AALDH1A1

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
US-8835456-B1 NS5A inhibitors useful for treating HCV ACHILLION PHARMACEUTICALS, INC. (US) 2014-09-16 — — US disclosed
US-8835456-B1 NS5A inhibitors useful for treating HCV ACHILLION PHARMACEUTICALS, INC. (US) 2014-09-16 — — US disclosed
US-8835456-B1 NS5A inhibitors useful for treating HCV ACHILLION PHARMACEUTICALS, INC. (US) 2014-09-16 — — US disclosed
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