SCHEMBL98778

SCHEMBL98778

CCOP(=O)(O)C(CC)(CC)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.38
TSHR P16473 3/20 0.37
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
LPAR3 Q9UBY5 4/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR2 Q9HBW0 2/20 0.32
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL28393069 0.81 PPARD (0.33) PPARDTSHRTP53TDP1CA12
SCHEMBL4119345 0.81 LPAR3 (0.48) TSHRLPAR3LPAR1LPAR2CYP3A4
SCHEMBL2079486 0.81 TSHR (0.39) PPARDTSHRTP53TDP1SMN1; SMN2
SCHEMBL3896487 0.81 GRM2 (0.32)
SCHEMBL7775445 0.80 PPARD (0.35) PPARDTSHRTP53TDP1CA12
SCHEMBL5451691 0.80 MAPT (0.37) PPARDTSHR
SCHEMBL4117498 0.80 LPAR2 (0.33) TSHRLPAR3LPAR2
SCHEMBL2364327 0.80 PPARD (0.32) PPARDTSHR
SCHEMBL2364792 0.80 FDPS (0.43) LPAR3LPAR1
SCHEMBL6579016 0.78 TSHR (0.40) PPARDTSHRTP53TDP1SMN1; 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

Appears in 3144 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117304093-A Piperidone alkaloid and analogues, synthesis method and application thereof 暨南大学 2023-12-29 CN claimed
WO-2023243350-A1 POLYCARBONATE RESIN COMPOSITION AND MOLDED ARTICLE COMPRISING SAME 帝人株式会社 2023-12-21 WO claimed
WO-2023228768-A1 THERMOPLASTIC RESIN COMPOSITION AND MOLDED ARTICLE FORMED FROM SAME 帝人株式会社 2023-11-30 WO claimed
CN-111517932-B Preparation method and intermediate of fused tricyclic derivative 四川海思科制药有限公司 2023-03-24 CN claimed
US-20220274913-A1 PROCESS FOR MANUFACTURING A SUBSTITUTED CYCLOHEXANECARBONITRILE SOLVAY SA (BE) 2022-09-01 US claimed
EP-4028383-A1 PROCESS FOR MANUFACTURING A SUBSTITUTED CYCLOHEXANECARBONITRILE SOLVAY SA (BE) 2022-07-20 EP claimed
CN-110945075-B Polyester resin composition and method for producing same 东丽株式会社 2022-03-25 CN claimed
CN-112588448-B Composite collecting agent and application thereof in chalcopyrite flotation 中南大学 2021-12-14 CN claimed
CN-112588448-A Composite collecting agent and application thereof in chalcopyrite flotation 中南大学 2021-04-02 CN claimed
WO-2021048364-A1 PROCESS FOR MANUFACTURING A SUBSTITUTED CYCLOHEXANECARBONITRILE SOLVAY SA (BE) 2021-03-18 WO claimed
EP-0892774-A4 PYRONIN ANTIBACTERIALS, PROCESS AND NOVEL INTERMEDIATES THERETO ANADYS PHARMACEUTICALS INC (US) 2001-10-04 EP claimed
US-6127551-A 4-HYDROXY-6-ETHYOXYCARBONYLALKENYL-2H-PYRAN-2-ONE IS ACYLATED WITH PROPIONYL CHLORIDE TO FORM A KETONE ADDUCT, FOLLOWED BY BASE-CATALYZED ALDOL TO FROM A PYRONE ALDOL; MESYLATION, FORM A PYRONE KETONE; AND CURTIUS SEQUENCE TO FORM MYXOPYRONIN SCRIPTGEN PHARMACEUTICALS, INC. (US) 2000-10-03 US claimed
US-5986111-A CONDENSATION OF ALDEHYDE WITH PYRONE TO FORM ADDUCT, OXIDATION AND SAPONIFICATION SCRIPTGEN PHARMACEUTICALS, INC. (US) 1999-11-16 US claimed
EP-0892774-A2 PYRONIN ANTIBACTERIALS, PROCESS AND NOVEL INTERMEDIATES THERETO SCRIPTGEN PHARMACEUTICALS, INC. (US) 1999-01-27 EP claimed
WO-1997034569-A2 PYRONIN ANTIBACTERIALS, PROCESS AND INTERMEDIATES SCRIPTGEN PHARMACEUTICALS, INC. (US) 1997-09-25 WO claimed
EP-0456932-B1 Propanol derivatives and perfumes containing the same TAKASAGO PERFUMERY CO LTD (JP) 1995-01-18 EP claimed
EP-0293220-B1 Pharmacologically active 2-and 3-substituted (1', 5'-diaryl-3-pyrazolyl)-N-Hydroxypropanamides and method for synthesizing ORTHO PHARMA CORP (US) 1994-08-31 EP claimed
EP-0396841-B1 Fluorinated arachidonic acid derivatives MERRELL DOW PHARMA (US) 1994-02-02 EP claimed
US-4384126-A Synthesis of deoxyzoapatanol derivatives ORTHO PHARMACEUTICAL CORPORATION (US) 1983-05-17 US claimed
US-4296035-A Total synthesis of the utero-evacuant substance d,l-zoapatanol ORTHO PHARMACEUTICAL CORPORATION (US) 1981-10-20 US claimed