SCHEMBL2129918

SCHEMBL2129918

CCC(N)(C(=O)O)C(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 3/20 0.50
ARG2 P78540 2/20 0.50
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
CYP1A2 P05177 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
ODC1 P11926 1/20 0.38
CYP2D6 P10635 1/20 0.38
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRM2 Q14416 2/20 0.35

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
SCHEMBL16116350 1.00 ARG1 (0.50) ARG1ARG2NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL27976606 0.98 ARG1 (0.48) ARG1ARG2NOS3NOS1NOS2
SCHEMBL28577951 0.83 ARG1 (0.40) ARG1ARG2NOS3NOS1NOS2
SCHEMBL5319944 0.83 ARG1 (0.40) ARG1ARG2NOS3NOS1NOS2
SCHEMBL9568397 0.81 ARG1 (0.56) ARG1ARG2NOS3NOS1NOS2
SCHEMBL1097800 0.81 ARG1 (0.56) ARG1ARG2NOS3NOS1NOS2
SCHEMBL1515330 0.80 ARG1 (0.50) ARG1ARG2NOS3NOS1NOS2
SCHEMBL29777967 0.80 ARG1 (0.50) ARG1ARG2NOS3NOS1NOS2
SCHEMBL11539532 0.80 ARG1 (0.50) ARG1ARG2NOS3NOS1NOS2
SCHEMBL16222763 0.78 ARG1 (0.48) ARG1ARG2NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103608332-A Pyridine-2-amides useful as CB2 agonists HOFFMANN LA ROCHE 2014-02-26 CN disclosed
CN-101522644-B Pyrazine-2-carboxamide derivatives as cb2 receptor modulators HOFFMANN LA ROCHE 2013-04-24 CN disclosed
EP-2043658-B1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES INC (US) 2012-04-25 EP disclosed
EP-2356141-A1 PROCESS FOR THE PURIFICATION OF HUMAN GROWTH HORMONE POLYPEPTIDES USING AFFINITY RESINS COMPRISING SPECIFIC LIGANDS Novo Nordisk A/S (DK) 2011-08-17 EP disclosed
EP-2346892-A1 PROCESS FOR THE PURIFICATION OF ANTIBODIES USING AFFINITY RESINS COMPRISING SPECIFIC LIGANDS Novo Nordisk A/S (DK) 2011-07-27 EP disclosed
WO-2010055135-A1 PROCESS FOR THE PURIFICATION OF HUMAN GROWTH HORMONE POLYPEPTIDES USING AFFINITY RESINS COMPRISING SPECIFIC LIGANDS NOVO NORDISK A/S (DK) 2010-05-20 WO disclosed
WO-2010055136-A1 PROCESS FOR THE PURIFICATION OF ANTIBODIES USING AFFINITY RESINS COMPRISING SPECIFIC LIGANDS NOVO NORDISK A/S (DK) 2010-05-20 WO disclosed
CN-101522644-A Pyrazine-2-carboxamide derivatives as cb2 receptor modulators HOFFMANN LA ROCHE (CH) 2009-09-02 CN disclosed
EP-2043658-A2 ANTIVIRAL PHOSPHINATE COMPOUNDS Gilead Sciences, Inc. (US) 2009-04-08 EP disclosed
WO-2008005565-A9 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES INC (US) 2009-01-29 WO disclosed
WO-2004096285-A2 ANTI-INFECTIVE PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
WO-2004096286-A2 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
WO-2004096235-A2 ANTI-CANCER PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
WO-2004096287-A2 INOSINE MONOPHOSPHATE DEHYDROGENASE INHIBITORY PHOSPHONATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
WO-2004019953-A1 THERAPEUTIC TREATMENT METHODS HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2004-03-11 WO disclosed
EP-1228083-A2 THERAPEUTIC TREATMENT OF ANDROGEN RECEPTOR DRIVEN CONDITIONS Hollis-Eden Pharmaceuticals Inc. (US) 2002-08-07 EP disclosed
WO-2001023405-A2 THERAPEUTIC TREATMENT OF ANDROGEN RECEPTOR DRIVEN CONDITIONS HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2001-04-05 WO disclosed
EP-0534774-A1 5,5-Dialkyl hydantoins for promoted acid gas scrubbing processes EXXON CHEMICAL PATENTS INC. (US) 1993-03-31 EP disclosed
US-4217238-A BASIC SALT, SCRUBBING EXXON RESEARCH & ENGINEERING CO. (US) 1980-08-12 US disclosed
US-4094957-A CARBON DIOXIDE EXXON RESEARCH & ENGINEERING CO. (US) 1978-06-13 US disclosed