SCHEMBL11022800

SCHEMBL11022800

CC(=Cc1ccc(Cc2cccnc2O)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 19/20 0.60
AKR1C3 P42330 1/20 0.47

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
SCHEMBL11022788 1.00 TBXAS1 (0.60) TBXAS1AKR1C3
Hydrochloric Acid SCHEMBL11023874 0.99 TBXAS1 (0.62) TBXAS1AKR1C3
Hydrochloric Acid SCHEMBL11023847 0.99 TBXAS1 (0.62) TBXAS1AKR1C3
Hydrochloric Acid SCHEMBL11024002 0.85 TBXAS1 (0.60) TBXAS1AKR1C3
Hydrochloric Acid SCHEMBL11024000 0.85 TBXAS1 (0.60) TBXAS1AKR1C3
SCHEMBL9549805 0.84 MAPT (0.44) TBXAS1
SCHEMBL10968079 0.84 MAPT (0.44) TBXAS1
SCHEMBL11020320 0.83 TBXAS1 (0.55) TBXAS1AKR1C3
SCHEMBL11020321 0.83 TBXAS1 (0.55) TBXAS1AKR1C3
SCHEMBL11018650 0.80 ALDH1A1 (0.41) TBXAS1

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