SCHEMBL11020320

SCHEMBL11020320

CCOc1ncccc1Cc1ccc(/C=C(\C)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 10/20 0.55
SLC13A5 Q86YT5 2/20 0.44
AKR1C3 P42330 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 2/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL11020321 1.00 TBXAS1 (0.55) TBXAS1SLC13A5AKR1C3L3MBTL1HPGD
SCHEMBL11022887 0.88 TBXAS1 (0.58) TBXAS1SLC13A5L3MBTL1HPGDMAPK1
SCHEMBL11022833 0.88 MAPK1 (0.43) TBXAS1SLC13A5L3MBTL1HPGDMAPK1
SCHEMBL11022889 0.88 TBXAS1 (0.58) TBXAS1SLC13A5L3MBTL1HPGDMAPK1
SCHEMBL11022827 0.88 MAPK1 (0.43) TBXAS1SLC13A5L3MBTL1HPGDMAPK1
SCHEMBL11022788 0.83 TBXAS1 (0.60) TBXAS1AKR1C3
SCHEMBL11022800 0.83 TBXAS1 (0.60) TBXAS1AKR1C3
Hydrochloric Acid SCHEMBL11023847 0.81 TBXAS1 (0.62) TBXAS1AKR1C3
Hydrochloric Acid SCHEMBL11023874 0.81 TBXAS1 (0.62) TBXAS1AKR1C3
SCHEMBL11039471 0.81 MAPT (0.41) TBXAS1L3MBTL1HPGDMAPK1LMNA

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