SCHEMBL29940752

SCHEMBL29940752

CCOC(=O)C=C(OCF)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.42
MDM4 O15151 1/20 0.42
MDM2 Q00987 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
PTGS2 P35354 1/20 0.41
NPSR1 Q6W5P4 3/20 0.40
POLB P06746 2/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
GALK1 P51570 1/20 0.39
CCR6 P51684 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL9185262 0.90 MAPT (0.51) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL9185269 0.90 MAPT (0.51) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL3293089 0.84 MAPT (0.49) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL3293086 0.84 MAPT (0.49) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL17881680 0.79 MAPT (0.48) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL1137907 0.78 MEN1 (0.49) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL1070286 0.78 MEN1 (0.53) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL14186862 0.78 MAPT (0.53) MAPTKMT2AMEN1NPC1ALDH1A1
Ethane SCHEMBL7072851 0.78 MAPT (0.49) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL11814908 0.77 MAPT (0.51) MAPTKMT2AMEN1NPC1ALDH1A1

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-111072476-B Method for high-selectivity fluoromethylation of beta-keto ester compounds on oxygen 南京理工大学 2022-10-21 CN disclosed