SCHEMBL5229482

SCHEMBL5229482

C[C](CO)C(C)C(O)CO

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.37
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 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
SCHEMBL13176733 0.72 TDP1 (0.38) TDP1LMNAL3MBTL1TSHRKDM4E
SCHEMBL4935611 0.71
SCHEMBL5064969 0.69
SCHEMBL3927423 0.69
SCHEMBL1869405 0.69
SCHEMBL1869406 0.69
SCHEMBL1926252 0.67
SCHEMBL1089459 0.67
E968 SCHEMBL18493349 0.67 TDP1 (0.77) TDP1LMNAL3MBTL1TSHRKDM4E
SCHEMBL12139121 0.67 TDP1 (0.53) TDP1LMNAL3MBTL1TSHRKDM4E

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-1228070-B1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE HOFFMANN LA ROCHE (CH) 2007-02-07 EP disclosed