SCHEMBL28068586

SCHEMBL28068586

CCc1cc(Cl)ccc1CC(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 4/20 0.43
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ACLY P53396 1/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AKR1C3 P42330 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.41
NLRP1 Q9C000 1/20 0.41
HSP90AB1 P08238 1/20 0.41
ABL1 P00519 1/20 0.40
RECQL P46063 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
SCHEMBL13888688 0.87 MAPT (0.42) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL7133160 0.84 MAPT (0.49) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL837451 0.84 ALDH1A1 (0.56) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL15071460 0.83 MAPT (0.49) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL13136740 0.83 MAPT (0.42) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL14035036 0.83 MAPT (0.42) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL4034721 0.83 EGFR (0.55) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL10923842 0.83 ALDH1A1 (0.50) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL2917379 0.83 HTT (0.44) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL20521859 0.83 MEN1 (0.47) MAPTALDH1A1HTTMEN1KMT2A

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-103687860-B As P2X7Heterocyclic amide derivatives of receptor antagonists 埃科特莱茵药品有限公司 2016-06-08 CN disclosed