SCHEMBL11320282

SCHEMBL11320282

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

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.32
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
TRPA1 O75762 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
SCHEMBL25670941 0.76 CA2 (0.47) TSHRCA2MAPK1
SCHEMBL12242084 0.76 CA2 (0.31) CA2MAPK1
SCHEMBL27573194 0.74 CA2 (0.38) TSHRCA2MAPK1
SCHEMBL28573215 0.74
SCHEMBL276534 0.74 CA2 (0.41) TSHRTP53CA2MAPK1
SCHEMBL2631146 0.74 CA2 (0.41) TSHRTP53CA2MAPK1
SCHEMBL12891264 0.74 CA2 (0.41) TSHRTP53CA2MAPK1
SCHEMBL10956798 0.71 CHRM1 (0.36) CA2MAPK1
SCHEMBL12242088 0.71
Hydrochloric Acid SCHEMBL29894094 0.69 KDM4E (0.40) CA2MAPK1

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
US-4307005-A UREA-FORMALDEHYDE RESIN CIBA-GEIGY CORPORATION (US) 1981-12-22 US disclosed