SCHEMBL7826522

SCHEMBL7826522

NC(CCCCNC(=O)CI)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.57
GSR P00390 1/20 0.50
ARG2 P78540 4/20 0.46
ARG1 P05089 3/20 0.46
NOD1 Q9Y239 2/20 0.45
TDP1 Q9NUW8 1/20 0.43
DDAH1 O94760 2/20 0.42
DPP7 Q9UHL4 1/20 0.42
NOS2 P35228 3/20 0.41
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
CYP1A2 P05177 2/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
GLA P06280 1/20 0.41
NFKB1 P19838 1/20 0.41
APEX1 P27695 1/20 0.41
CYP2C19 P33261 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
SCHEMBL450798 1.00 OTC (0.57) OTCGSRARG2ARG1NOD1
SCHEMBL450041 0.95 OTC (0.63) OTCGSRARG2ARG1NOD1
SCHEMBL5548101 0.95 OTC (0.63) OTCGSRARG2ARG1NOD1
SCHEMBL22689763 0.86 OTC (0.54) OTCGSRARG2ARG1NOD1
SCHEMBL22689846 0.85 OTC (0.53) OTCGSRARG2ARG1NOD1
SCHEMBL6183879 0.84 OTC (0.58) OTCGSRARG2ARG1NOD1
SCHEMBL14682811 0.84 OTC (0.58) OTCGSRARG2ARG1NOD1
SCHEMBL18350239 0.84 OTC (0.58) OTCGSRARG2ARG1NOD1
SCHEMBL6672850 0.84 OTC (0.58) OTCGSRARG2ARG1NOD1
SCHEMBL5973446 0.84 OTC (0.58) OTCGSRARG2ARG1NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024105276-A1 COMBINATION OF POLYAMINE PATHWAY INHIBITOR DRUG AND PROLINE/ARGININE DIET RESTRICTION Universität Zürich (CH) 2024-05-23 WO disclosed
CN-118043053-A Methods of treating cancer 福宏治疗公司 2024-05-14 CN disclosed
WO-2018222975-A1 METHODS FOR THE TREATMENT OF CANCER RGENIX, INC. (US) 2018-12-06 WO disclosed
WO-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO 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