SCHEMBL29159665

SCHEMBL29159665

CC(C)(C)OC(=O)COc1cc(F)c(Cl)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.41
PSEN1 P49768 3/20 0.39
PSEN2 P49810 3/20 0.39
APH1B Q8WW43 3/20 0.39
NCSTN Q92542 3/20 0.39
APH1A Q96BI3 3/20 0.39
PSENEN Q9NZ42 3/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TNFRSF1A P19438 1/20 0.38
PTPN1 P18031 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
AAK1 Q2M2I8 1/20 0.35

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
SCHEMBL31566186 1.00 PDK2 (0.41) PDK2PSEN1PSEN2APH1BNCSTN
SCHEMBL29159609 0.80 PKM (0.46) HPGDLMNAHSD17B10
SCHEMBL22396821 0.78 MCL1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29241829 0.78 ATF4 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23702440 0.77 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30087205 0.77 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14720986 0.76 MAPT (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5914742 0.76 MAPT (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21111524 0.76 PSEN1 (0.41) PDK2PSEN1PSEN2APH1BNCSTN
SCHEMBL17711009 0.75 MAPT (0.52) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117580824-A Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2024-02-20 CN disclosed