SCHEMBL11196008

SCHEMBL11196008

CCCCCCOc1ccccc1C(OCC)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.51
CYSLTR1 Q9Y271 2/20 0.51
PPARG P37231 5/20 0.50
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
NR1I2 O75469 1/20 0.48
CHRM2 P08172 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADRA2A P08913 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR2B P41595 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
L3MBTL1 Q9Y468 4/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL8798050 0.85 PPARG (0.54) CYSLTR2CYSLTR1PPARGLMNAMAPT
SCHEMBL5393586 0.84 ALDH1A1 (0.50) MAPTKMT2AL3MBTL1CYP1A2CYP2C19
SCHEMBL9214705 0.81 LMNA (0.61) CYSLTR2CYSLTR1PPARGLMNAMAPT
SCHEMBL11605622 0.81 PPARG (0.60) CYSLTR2CYSLTR1PPARGLMNAMAPT
SCHEMBL7639583 0.81 L3MBTL1 (0.67) CYSLTR2CYSLTR1LMNAMAPTMEN1
SCHEMBL28515930 0.81 L3MBTL1 (0.67) CYSLTR2CYSLTR1LMNAMAPTMEN1
SCHEMBL3081241 0.81 L3MBTL1 (0.67) CYSLTR2CYSLTR1LMNAMAPTMEN1
SCHEMBL7636542 0.81 L3MBTL1 (0.67) CYSLTR2CYSLTR1LMNAMAPTMEN1
SCHEMBL28356201 0.80 CYSLTR2 (0.53) CYSLTR2CYSLTR1PPARGLMNAMAPT
SCHEMBL29033404 0.79 PPARG (0.58) CYSLTR2CYSLTR1PPARGLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4421924-A FROM GULONO-1,4-LACTONE PFIZER INC. (US) 1983-12-20 US disclosed
US-4283340-A VITAMINS PFIZER INC. (US) 1981-08-11 US disclosed
EP-0000243-B1 PROCESS FOR PREPARING 3,5:4,6- PROTECTED DERIVATIVES OF L- OR D- GULONIC ACID, THEIR USE IN PREPARING 2- KETO-L- OR D- GULONIC ACID OR THEIR ESTERS OR L- OR D- ASCORBIC ACID, AND CERTAIN NOVEL 2-NITRATO-GULONATE INTERMEDIATES PFIZER INC. (US) 1981-01-07 EP disclosed
US-4232168-A OXIDATION, HYDROLYSIS PFIZER INC. (US) 1980-11-04 US disclosed
EP-0000243-A1 Process for preparing 3,5:4,6- protected derivatives of L- or D- gulonic acid, their use in preparing 2- keto-L- or D- gulonic acid or their esters or L- or D- ascorbic acid, and certain novel 2-nitrato-gulonate intermediates PFIZER INC. (US) 1979-01-10 EP disclosed