Sugi Predict

Sugi Predict / Compounds / SCHEMBL732930

SCHEMBL732930

SCHEMBL732930

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ ABCC4 O15439 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ FAAH O00519 5/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ SLC6A5 Q9Y345 2/20 0.40
▸ PDF Q9HBH1 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP3A4 P08684 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.35
▸ ASAH2 Q9NR71 1/20 0.35
▸ EPHX2 P34913 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
SCHEMBL2044500 0.98 ALDH1A1 (0.50) ALDH1A1ABCC4MAPTLMNAFAAH
SCHEMBL2044501 0.98 ALDH1A1 (0.50) ALDH1A1ABCC4MAPTLMNAFAAH
SCHEMBL15623787 0.87 FAAH (0.42) ALDH1A1FAAHMEN1KMT2ANOD1
SCHEMBL731077 0.85 ALDH1A1 (0.49) ALDH1A1ABCC4MAPTLMNAFAAH
SCHEMBL27734590 0.85 ALDH1A1 (0.49) ALDH1A1ABCC4MAPTLMNAFAAH
SCHEMBL2045176 0.84 ALDH1A1 (0.51) ALDH1A1ABCC4MAPTLMNAFAAH
SCHEMBL2047122 0.84 ALDH1A1 (0.51) ALDH1A1ABCC4MAPTLMNAFAAH
SCHEMBL15680129 0.82 PLA2G2C (0.42) ALDH1A1LMNAFAAHTSHRMEN1
SCHEMBL6562409 0.79 FAAH (0.66) ALDH1A1ABCC4MAPTLMNAFAAH
SCHEMBL2429929 0.79 MAPT (0.40) ALDH1A1ABCC4MAPTLMNASMN1; 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 39 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-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-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-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
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-8377873-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-02-19 — — US disclosed
EP-2076278-A2 HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2009-07-08 — — EP disclosed
WO-2008057208-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-15 — — WO 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