SCHEMBL5548101

SCHEMBL5548101

NC(CCCNC(=O)CI)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.63
GSR P00390 2/20 0.47
DDAH1 O94760 3/20 0.47
NOD1 Q9Y239 2/20 0.46
ARG2 P78540 4/20 0.43
ARG1 P05089 3/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
NOS2 P35228 2/20 0.42
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIK1 P39086 1/20 0.41
GRM5 P41594 1/20 0.41
GRIA1 P42261 1/20 0.41

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
SCHEMBL450041 1.00 OTC (0.63) OTCGSRDDAH1NOD1ARG2
SCHEMBL450798 0.95 OTC (0.57) OTCGSRDDAH1NOD1ARG2
SCHEMBL7826522 0.95 OTC (0.57) OTCGSRDDAH1NOD1ARG2
SCHEMBL25186309 0.83 OTC (0.65) OTCGSRDDAH1NOD1ARG2
SCHEMBL13043221 0.83 OTC (0.65) OTCGSRDDAH1NOD1ARG2
SCHEMBL25186310 0.83 OTC (0.65) OTCGSRDDAH1NOD1ARG2
SCHEMBL2237070 0.81 OTC (0.63) OTCGSRDDAH1NOD1ARG2
SCHEMBL2237074 0.81 OTC (0.63) OTCGSRDDAH1NOD1ARG2
SCHEMBL22689763 0.81 OTC (0.54) OTCGSRDDAH1NOD1ARG2
SCHEMBL2236948 0.80 OTC (0.61) OTCGSRDDAH1NOD1ARG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118043053-A Methods of treating cancer 福宏治疗公司 2024-05-14 CN disclosed
EP-3658612-A1 FORMATION OF PARTICLES INCLUDING AGENTS Elektrofi, Inc. (US) 2020-06-03 EP disclosed
WO-2019023392-A1 FORMATION OF PARTICLES INCLUDING AGENTS ELEKTROFI, INC. (US) 2019-01-31 WO disclosed
US-20070059770-A1 Reference Database LARGE SCALE PROTEOMICS CORPORATION A DIVISION OF LARGE SCALE BIOLOGY CORPORATION (US) 2007-03-15 US disclosed
US-7133544-B2 Reference database LARGE SCALE BIOLOGY CORPORATION (US) 2006-11-07 US disclosed
US-7130459-B2 Reference database LARGE SCALE BIOLOGY CORPORATION (US) 2006-10-31 US disclosed
US-6980674-B2 Reference database LARGE SCALE PROTEOMICS CORP. (US) 2005-12-27 US disclosed
US-20050170432-A1 Reference database LARGE SCALE PROTEOMICS CORPORATION, A DIVISION OF LARGE SCALE BIOLOGY CORPORATION (US) 2005-08-04 US disclosed
US-20030059095-A1 Reference database LARGE SCALE BIOLOGY CORPORATION 2003-03-27 US disclosed
US-6539102-B1 Reference database LARGE SCALE PROTEOMICS 2003-03-25 US disclosed
US-20030009293-A1 Reference database LARGE SCALE BIOLOGY CORPORATION 2003-01-09 US disclosed
US-20020087273-A1 Reference database LARGE SCALE PROTEOMICS CORP. 2002-07-04 US disclosed
WO-2002021428-A1 REFERENCE DATABASE LARGE SCALE PROTEOMICS CORPORATION (US) 2002-03-14 WO disclosed
US-20020028005-A1 Reference database LARGE SCALE BIOLOGY CORPORATION 2002-03-07 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed