SCHEMBL4539895

SCHEMBL4539895

C=CCCC(O)C(O)C(=O)O.[NaH]

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
PDE4A P27815 1/20 0.35
PGD P52209 1/20 0.35
MAPT P10636 2/20 0.34
ABCC4 O15439 1/20 0.34
ALDH1A1 P00352 2/20 0.32
CYP2C9 P11712 1/20 0.31
DDAH1 O94760 1/20 0.31
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 2/20 0.31
FAAH O00519 1/20 0.30
USP2 O75604 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL15698565 0.98 TSHR (0.39) TSHRPDE4APGDMAPTABCC4
SCHEMBL629530 0.98 TSHR (0.39) TSHRPDE4APGDMAPTABCC4
SCHEMBL27696125 0.98 TSHR (0.39) TSHRPDE4APGDMAPTABCC4
SCHEMBL6120459 0.96 TSHR (0.38) TSHRPDE4APGDMAPTABCC4
SCHEMBL27702751 0.96 TSHR (0.38) TSHRPDE4APGDMAPTABCC4
SCHEMBL28068419 0.85 MAPT (0.42) TSHRPDE4APGDMAPTABCC4
SCHEMBL3892239 0.83 MAPT (0.41) TSHRPDE4APGDMAPTABCC4
SCHEMBL4538038 0.81 LMNA (0.41) TSHRMAPTABCC4CYP3A4
SCHEMBL20819989 0.78 MAPT (0.34) MAPTABCC4ALDH1A1DDAH1GRIK1
SCHEMBL22552623 0.78 MAPT (0.34) MAPTABCC4ALDH1A1DDAH1GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101098859-B Pyrimidinone compound, preparation and application thereof ZHEJIANG HISUN PHARM CO LTD 2013-03-06 CN claimed
CN-101098859-A Pyrimidone compounds and preparation and application thereof ZHEJIANG HISUN PHARMACEUTICAL (CN) 2008-01-02 CN claimed
CN-1091634-A The stable pharmaceutical composition that contains a kind of β-Qiang Ji-β-Jia Jiwuersuandanxian coenzyme reductase inhibitor SANDOZ LTD (CH) 1994-09-07 CN claimed
CN-105431140-A Complex formulation containing sustained release metformin and immediate release hmg-coa reductase inhibitor CJ HEALTHCARE CORP 2016-03-23 CN disclosed
CN-101098859-B Pyrimidinone compound, preparation and application thereof ZHEJIANG HISUN PHARM CO LTD 2013-03-06 CN disclosed
WO-2012063115-A2 PROCESS FOR THE PREPARATION OF ROSUVASTATIN CALCIUM VIA NOVEL AMINE INTERMEDIATE JUBILANT LIFE SCIENCES LTD. (IN) 2012-05-18 WO disclosed
CN-101098859-A Pyrimidone compounds and preparation and application thereof ZHEJIANG HISUN PHARMACEUTICAL (CN) 2008-01-02 CN disclosed
CN-1796370-A Compound substitution heterocycle class WANG SONGFA (CN) 2006-07-05 CN disclosed
CN-1718573-A Heterocyclic compound WANG SONGFA (CN) 2006-01-11 CN disclosed
EP-0403487-A4 NOVEL HMG-COA REDUCTASE INHIBITORS 1991-06-05 EP disclosed
EP-0403487-A1 NOVEL HMG-CoA REDUCTASE INHIBITORS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1990-12-27 EP disclosed
WO-1989005639-A1 NOVEL HMG-CoA REDUCTASE INHIBITORS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-06-29 WO disclosed