SCHEMBL29201142

SCHEMBL29201142

CC(=CC(C)(C(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
PTGS1 P23219 1/20 0.33
AKR1C3 P42330 1/20 0.33
CD81 P60033 1/20 0.32
FFAR3 O14843 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30

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
SCHEMBL13183278 0.79 ALDH1A1 (0.36) ALDH1A1TSHRPTGS1AKR1C3FFAR3
SCHEMBL6571057 0.78 PTGS1 (0.36) ALDH1A1TSHRPTGS1AKR1C3FFAR3
SCHEMBL6571066 0.78 PTGS1 (0.36) ALDH1A1TSHRPTGS1AKR1C3FFAR3
SCHEMBL27166 0.78 GRIK1 (0.39) ALDH1A1TSHRPTGS1AKR1C3FFAR3
SCHEMBL22811 0.78 GRIK1 (0.39) ALDH1A1TSHRPTGS1AKR1C3FFAR3
SCHEMBL1074949 0.76 ALDH1A1 (0.38) ALDH1A1TSHRPTGS1AKR1C3FFAR3
SCHEMBL10895044 0.76 PTGS1 (0.34) ALDH1A1TSHRPTGS1AKR1C3FFAR3
SCHEMBL6726270 0.76 ALDH1A1 (0.38) ALDH1A1TSHRPTGS1AKR1C3FFAR3
SCHEMBL5201817 0.74 PTGS1 (0.33) ALDH1A1TSHRPTGS1AKR1C3FFAR3
SCHEMBL3471622 0.74 PTGS1 (0.33) ALDH1A1TSHRPTGS1AKR1C3FFAR3

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-115715770-B Apixaban transdermal patch and preparation method thereof 新领医药技术(深圳)有限公司 2024-01-26 CN disclosed