SCHEMBL28540862

SCHEMBL28540862

C=C(C(=O)OCC)C(=O)c1cc(F)c(F)c(OC)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
PLIN1 O60240 1/20 0.33
POLB P06746 1/20 0.33
PLIN5 Q00G26 1/20 0.33
ABHD5 Q8WTS1 1/20 0.33
CES2 O00748 1/20 0.33

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
SCHEMBL29278920 0.89 MAPT (0.44) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9056890 0.86 MAPT (0.49) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL21341482 0.85 MAPT (0.48) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9095929 0.84 MAPT (0.39) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9055736 0.82 MAPT (0.46) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL15241560 0.82 MEN1 (0.39) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9095923 0.81 MEN1 (0.38) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL28931374 0.81 MAPT (0.33) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9142948 0.81 MEN1 (0.38) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9095927 0.81 MEN1 (0.38) MAPTALDH1A1MEN1KMT2ALMNA

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-108088930-B Detection method of quinoline carboxylic acid ethyl ester or/and related substances thereof 成都百裕制药股份有限公司 2021-02-26 CN claimed