SCHEMBL27780366

SCHEMBL27780366

CCOC(=O)C(C(=O)CC)C(F)c1ccc(OC)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
LMNA P02545 2/20 0.33
HSD17B2 P37059 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PRKCZ Q05513 1/20 0.32
POLB P06746 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL27911308 0.72 MMP8 (0.48) TSHRSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL11194919 0.71 SOAT1 (0.48) TSHRLMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL10693813 0.69 HTT (0.35) TSHRLMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL3599329 0.68 MGAM (0.39) MRGPRX4LMNAMAPK1MEN1KMT2A
SCHEMBL5816889 0.68 MMP8 (0.40) TSHRMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL1643715 0.67 POLB (0.42) TSHRMRGPRX4LMNAMAPTSMN1; SMN2
SCHEMBL1643713 0.67 POLB (0.42) TSHRMRGPRX4LMNAMAPTSMN1; SMN2
SCHEMBL29364351 0.67 POLB (0.42) TSHRMRGPRX4LMNAMAPTSMN1; SMN2
SCHEMBL14855852 0.66 PRKCZ (0.49) LMNAHSD17B2MAPTSMN1; SMN2ALDH1A1
SCHEMBL27859551 0.66 ALDH1A1 (0.37) MRGPRX4LMNAMAPK1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679359-B Quinolines and their therapeutic use ARGENTA DISCOVERY LTD 2013-03-06 CN disclosed
CN-101679359-A Quinolines and their therapeutic use ARGENTA DISCOVERY LTD 2010-03-24 CN disclosed