SCHEMBL8022572

SCHEMBL8022572

CCOC(OCC)c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
CYP3A4 P08684 2/20 0.39
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MC4R P32245 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
ACHE P22303 1/20 0.34

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
SCHEMBL6712716 0.86 CYP3A4 (0.40) L3MBTL1CYP3A4IDO1TDO2SLC6A2
SCHEMBL6710179 0.78 ALDH1A1 (0.44) L3MBTL1CYP3A4ALDH1A1KDM4ECES2
SCHEMBL26982032 0.78 CES2 (0.39) L3MBTL1CYP3A4ALDH1A1CES2CES1
SCHEMBL27491659 0.77 L3MBTL1 (0.39) L3MBTL1CYP3A4IDO1TDO2SLC6A2
SCHEMBL898540 0.77 ESR1 (0.50) L3MBTL1CYP3A4SLC6A2SLC6A4ALDH1A1
SCHEMBL699772 0.77 ALDH1A1 (0.38) L3MBTL1CYP3A4ALDH1A1MAPTACHE
SCHEMBL26982178 0.76 CES2 (0.37) L3MBTL1CYP3A4ALDH1A1CES2CES1
SCHEMBL9160673 0.76 CYP3A4 (0.38) L3MBTL1CYP3A4IDO1TDO2SLC6A2
SCHEMBL9160666 0.76 CYP3A4 (0.38) L3MBTL1CYP3A4IDO1TDO2SLC6A2
SCHEMBL9160678 0.76 CYP3A4 (0.38) L3MBTL1CYP3A4IDO1TDO2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103517907-A Spirocyclic isoxazoline derivatives as antiparasitic agents PFIZER 2014-01-15 CN disclosed
CN-103270036-A Isoxazoline derivatives as antiparasitic agents PFIZER 2013-08-28 CN disclosed
WO-2000058262-A1 STEREOSPECIFIC METHOD FOR PREPARING TOMOXETINE AND INTERMEDIATES THEREOF ELI LILLY AND COMPANY (US) 2000-10-05 WO disclosed
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