SCHEMBL29967486

SCHEMBL29967486

COC(=O)[C@H](O)[C@H](O)[C@H](O)C(O)=C(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA14 Q9ULX7 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
SCHEMBL18383650 0.83 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AALDH1A1CA14
SCHEMBL11980977 0.78 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AALDH1A1CA14
SCHEMBL15541937 0.78 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AALDH1A1CA14
SCHEMBL1846267 0.78 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AALDH1A1CA14
SCHEMBL31276635 0.78 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AALDH1A1CA14
SCHEMBL6669595 0.78 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AALDH1A1CA14
SCHEMBL537913 0.78
SCHEMBL27865772 0.78
SCHEMBL10003987 0.78
SCHEMBL6666971 0.75 PDE4A (0.44) SMN1; SMN2KMT2AALDH1A1CA14

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-115141138-A Method for constructing fluoride by decarboxylation of alkyl carboxylic acid 中山大学 2022-10-04 CN disclosed