SCHEMBL223705

SCHEMBL223705

CCC(C)OC(=O)C(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
FAAH O00519 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
TP53 P04637 1/20 0.32
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
CHRM1 P11229 2/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL10802916 0.98 MAPT (0.42) MAPTFAAHMMP1MMP2MMP3
SCHEMBL6867730 0.83 MAPT (0.41) MAPTFAAH
SCHEMBL334795 0.82 MAPT (0.44) MAPTFAAHMMP1MMP2MMP3
SCHEMBL7778414 0.80 MAPT (0.42) MAPTFAAHMMP1MMP2MMP3
SCHEMBL391324 0.79 MAPT (0.40) MAPTFAAH
SCHEMBL793155 0.78 TSHR (0.42) MAPTFAAHMMP1MMP2MMP3
SCHEMBL223480 0.78 MAPT (0.41) MAPTFAAHMMP1MMP2MMP3
SCHEMBL335362 0.78 MAPT (0.41) MAPTFAAHMMP1MMP2MMP3
SCHEMBL2636247 0.78 MAPT (0.41) MAPTFAAHMMP1MMP2MMP3
SCHEMBL4391353 0.78 FAAH (0.46) MAPTFAAHMMP1MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080032913-A1 Masking of mineral oil odor and fragrancing of mineral oils SYMRISE GMBH & CO. KG (DE) 2008-02-07 US claimed
US-6415614-B1 CONTROLLING VAPOR PRESSURE OF MIXTURE VISTEON GLOBAL TECHNOLOGIES, INC. 2002-07-09 US claimed
CN-110800150-B Non-aqueous electrolyte and electrolytic solution containing electrolyte stabilizing material, secondary battery containing the same, and use thereof 株式会社村田制作所 2022-11-29 CN disclosed
CN-115003302-A Orally administered combination of amoxicillin and avibactam derivatives for the treatment of mycobacterial infections ARIXA制药公司 2022-09-02 CN disclosed
CN-110800150-A Non-aqueous electrolyte and electrolytic solution containing electrolyte stabilizing material, secondary battery containing the same, and use thereof 株式会社村田制作所 2020-02-14 CN disclosed
CN-109475903-A Multilayer curable compositions containing 1, 1-di activated vinyl compound products and related processes PPG工业俄亥俄公司 2019-03-15 CN disclosed
CN-105452320-B Blocked isocyanate, coating composition, adhesive composition, and article 三井化学株式会社 2019-02-26 CN disclosed
CN-109312015-A Tetrahydroindacenyl catalyst compositions, catalyst systems, and methods of use thereof 埃克森美孚化学专利公司 2019-02-05 CN disclosed
CN-109071700-A Tetrahydro asymmetry indacene base carbon monoxide-olefin polymeric, catalyst system and its application method 埃克森美孚化学专利公司 2018-12-21 CN disclosed
CN-107325262-A Blocked isocyanate, coating composition, adhesive composite and article 三井化学株式会社 2017-11-07 CN disclosed
CN-103998412-B 2 fluorobenzene phenylpropionic acid derivatives 日本株式会社 LTT 生物医药 2017-05-31 CN disclosed
US-4447662-A Beta-dicarbonyl compounds for the promotion of aromatic nitration by nitrogen tetroxide AIR PRODUCTS AND CHEMICALS, INC. (US) 1984-05-08 US disclosed
US-4446147-A Azaprostacyclins, their preparation and pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 1984-05-01 US disclosed
EP-0059756-A1 7-OXOPROSTACYCLIN DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF. SCHERING AG (DE) 1982-09-15 EP disclosed
WO-1982001002-A1 7-OXOPROSTACYCLIN DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF NICKOLSON R 1982-04-01 WO disclosed
US-4264500-A Process of making 6-chloro-α-methyl-carbazole-2-acetic acid HOFFMANN-LA ROCHE INC. (US) 1981-04-28 US disclosed
US-4239901-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1980-12-16 US disclosed
US-4097496-A ANTIPROSTAGLANDIN ACTIVITY HOECHST AKTIENGESELLSCHAFT (DT) 1978-06-27 US disclosed
US-4083990-A ANTIPROSTAGLANDIN EFFECT HOECHST AKTIENGESELLSCHAFT (DT) 1978-04-11 US disclosed
US-3984459-A ANTI-PROSTAGLANDINS HOECHST AKTIENGESELLSCHAFT (DT) 1976-10-05 US disclosed