SCHEMBL6507086

SCHEMBL6507086

NC(=O)COc1ccc(C(F)(F)F)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.68
MAOB P27338 6/20 0.58
AOC3 Q16853 1/20 0.57
KIF11 P52732 1/20 0.54
GRM4 Q14833 1/20 0.52
PPARD Q03181 2/20 0.51
PPARA Q07869 1/20 0.51
MDH1 P40925 1/20 0.49
MDH2 P40926 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
PDK2 Q15119 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
POLB P06746 1/20 0.46
BLM P54132 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL10506137 0.84 MEN1 (0.58) ALDH1A1POLBBLMTDP1
SCHEMBL2111994 0.83 PPARD (0.68) ALDH1A1MAOBAOC3GRM4PPARD
SCHEMBL1116911 0.82 ALDH1A1 (0.55) ALDH1A1MAOBAOC3KIF11PPARA
SCHEMBL22868083 0.81 WDR5 (0.59) ALDH1A1MAOBAOC3KIF11GRM4
SCHEMBL12611856 0.81 ALDH1A1 (0.63) ALDH1A1MAOBAOC3KIF11GRM4
SCHEMBL11537941 0.81 ALDH1A1 (0.63) ALDH1A1MAOBAOC3KIF11GRM4
SCHEMBL2171542 0.81 MAOB (0.57) ALDH1A1MAOBAOC3SMN1; SMN2PDK2
SCHEMBL6153892 0.81 SMN1; SMN2 (0.71) ALDH1A1MAOBAOC3SMN1; SMN2POLB
SCHEMBL11525116 0.81 ALDH1A1 (0.63) ALDH1A1MAOBAOC3GRM4PPARD
SCHEMBL10931313 0.81 KDM4E (0.49) ALDH1A1MAOBAOC3PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118239937-A Compounds, compositions, and methods 戴纳立制药公司 2024-06-25 CN disclosed
CN-112189008-A Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2021-01-05 CN disclosed
CN-106749076-B Application of o-hydroxyphenyl azole derivative as organic blue light material 四川大学 2020-09-11 CN disclosed
WO-2005035526-A1 BICYCLIC COMPOUNDS AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LTD. (GB) 2005-04-21 WO disclosed
US-4133808-A 4-(Formylthio)azetidinones and ozonization process therefor ELI LILLY AND COMPANY (US) 1979-01-09 US disclosed
US-4048157-A 4(Formylthio)-azetidin-2-ones and ozonization process therefor ELI LILLY AND COMPANY (US) 1977-09-13 US disclosed