SCHEMBL11074677

SCHEMBL11074677

O=C(OO)c1ccccc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
CTNNB1 P35222 2/20 0.46
WNT3A P56704 2/20 0.46
CNR2 P34972 2/20 0.45
MAOB P27338 1/20 0.44
CES2 O00748 1/20 0.44
KCNK3 O14649 2/20 0.43
KCNK9 Q9NPC2 2/20 0.43
PTGS1 P23219 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MRGPRX1 Q96LB2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL10519876 0.86 LMNA (0.58) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL1405144 0.86 LMNA (0.58) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL27570825 0.84 LMNA (0.56) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL45490 0.82 LMNA (0.59) LMNAGAA
SCHEMBL28284599 0.82 LMNA (0.55) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL513905 0.82 LMNA (0.55) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL14976 0.80 MAPT (0.44) LMNAGAATDP1NPC1
SCHEMBL29448528 0.80 MAPT (0.44) LMNAGAATDP1NPC1
SCHEMBL6675290 0.79 LMNA (0.51) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL2863943 0.79 LMNA (0.51) LMNAGAACTNNB1WNT3ACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4431590-A 1-Chlorosulphonyl-2,3,4,10-tetrahydro-1H-chromeno[3,4-c]azet-2-one HOFFMANN-LA ROCHE INC. (US) 1984-02-14 US disclosed
US-4322360-A Process for producing imidazolidone intermediates of biotin HOFFMANN-LA ROCHE INC. (US) 1982-03-30 US disclosed
US-4284788-A Imidazolidone intermediates of biotin HOFFMANN-LA ROCHE INC. (US) 1981-08-18 US disclosed
EP-0022446-A1 Process for the preparation of biotin esters and biotin F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-01-21 EP disclosed