SCHEMBL28199768

SCHEMBL28199768

CC(=CC=C[C]=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.50
AKR1C3 P42330 1/20 0.31

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
SCHEMBL793261 0.79 PTGS1 (0.48) PTGS1AKR1C3
SCHEMBL346616 0.79 PTGS1 (0.71) PTGS1AKR1C3
SCHEMBL28176299 0.76 PTGS1 (0.68) PTGS1AKR1C3
SCHEMBL1900173 0.73 PTGS1 (0.55) PTGS1AKR1C3
SCHEMBL3791596 0.73 PTGS1 (0.55) PTGS1AKR1C3
SCHEMBL2729477 0.73 PTGS1 (0.55) PTGS1AKR1C3
SCHEMBL1071600 0.72
SCHEMBL2362118 0.72
SCHEMBL12337475 0.72
SCHEMBL27633694 0.72

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-104678472-B Color filter substrate and display device 元太科技工业股份有限公司 2018-02-16 CN disclosed