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SCHEMBL731077

SCHEMBL731077

C=CCCCCC(=O)N[C@H](C(=O)OC)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MAPT P10636 2/20 0.39
▸ ABCC4 O15439 1/20 0.39
▸ RECQL P46063 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ FAAH O00519 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PDF Q9HBH1 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ GAA P10253 1/20 0.34

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
SCHEMBL27734590 1.00 ALDH1A1 (0.49) ALDH1A1LMNAMAPTABCC4RECQL
SCHEMBL2045176 0.99 ALDH1A1 (0.51) ALDH1A1LMNAMAPTABCC4RECQL
SCHEMBL2047122 0.99 ALDH1A1 (0.51) ALDH1A1LMNAMAPTABCC4RECQL
SCHEMBL732930 0.85 ALDH1A1 (0.47) ALDH1A1LMNAMAPTABCC4SMN1; SMN2
SCHEMBL2044500 0.84 ALDH1A1 (0.50) ALDH1A1LMNAMAPTABCC4SMN1; SMN2
SCHEMBL2044501 0.84 ALDH1A1 (0.50) ALDH1A1LMNAMAPTABCC4SMN1; SMN2
SCHEMBL2431239 0.79 ALDH1A1 (0.44) ALDH1A1LMNAMAPTABCC4RECQL
SCHEMBL30170128 0.78 CNR1 (0.36) RECQLFAAH
SCHEMBL18771504 0.77 ALDH1A1 (0.37) ALDH1A1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL3301434 0.76 PDF (0.36) ALDH1A1LMNAMAPTRECQLSMN1; SMN2

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076278-B1 Macrocyclic HCV NS3 protease inhibitors MERCK SHARP & DOHME (US) 2015-05-06 — — EP disclosed
EP-2079479-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-26 — — EP disclosed
EP-2083844-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2013-11-27 — — EP disclosed
US-8377873-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-02-19 — — US disclosed
US-8377873-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-02-19 — — US disclosed
US-8377874-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-02-19 — — US disclosed
US-8377873-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-02-19 — — US disclosed
US-8377874-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-02-19 — — US disclosed
US-8377874-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-02-19 — — US disclosed
EP-1913016-B1 MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2013-01-16 — — EP disclosed
EP-2076278-A2 HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2009-07-08 — — EP disclosed
CN-101233148-A Macrocyclic peptides as HCV NS3 protease inhibitors MERCK & CO INC (US) 2008-07-30 — — CN disclosed
WO-2008057208-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-15 — — WO disclosed
WO-2008051475-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-02 — — WO disclosed
WO-2008051475-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-02 — — WO disclosed
WO-2008051477-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-02 — — WO disclosed
WO-2008051477-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-02 — — WO disclosed
EP-1913016-A1 MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2008-04-23 — — EP disclosed
WO-2007016441-A1 MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 — — WO disclosed
WO-2007016441-A1 MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 — — WO disclosed