SCHEMBL11039475

SCHEMBL11039475

CCCOc1ncccc1Cc1ccc(/C=C(\C)C(=O)OCC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
MAPK1 P28482 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TBXAS1 P24557 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
NPSR1 Q6W5P4 3/20 0.38
LMNA P02545 2/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 1/20 0.36
CYP2C9 P11712 1/20 0.36
HAO1 Q9UJM8 1/20 0.36

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
SCHEMBL11039471 1.00 MAPT (0.41) MAPTMAPK1CYP1A2CYP2C19CYP3A4
SCHEMBL11022827 0.92 MAPK1 (0.43) MAPTMAPK1CYP1A2CYP2C19CYP3A4
SCHEMBL11022833 0.92 MAPK1 (0.43) MAPTMAPK1CYP1A2CYP2C19CYP3A4
SCHEMBL11025963 0.89 TBXAS1 (0.44) MAPTMAPK1CYP1A2CYP2C19CYP3A4
SCHEMBL11025967 0.89 TBXAS1 (0.44) MAPTMAPK1CYP1A2CYP2C19CYP3A4
SCHEMBL11021759 0.86 SLC13A5 (0.41) MAPTMAPK1CYP1A2CYP2C19CYP3A4
SCHEMBL11021757 0.86 SLC13A5 (0.41) MAPTMAPK1CYP1A2CYP2C19CYP3A4
SCHEMBL11024008 0.86 TBXAS1 (0.56) MAPK1TBXAS1L3MBTL1MEN1KMT2A
SCHEMBL11024010 0.86 TBXAS1 (0.56) MAPK1TBXAS1L3MBTL1MEN1KMT2A
SCHEMBL9549805 0.84 MAPT (0.44) MAPTMAPK1CYP1A2CYP2C19CYP3A4

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
EP-0153678-A1 Cinnamic acid derivatives, processes for the preparation thereof and pharmaceutical compositions Tanabe Seiyaku Co., Ltd. (JP) 1985-09-04 EP disclosed