SCHEMBL11113243

SCHEMBL11113243

CC(C)C1OCc2cccc(N(C)C(=O)O)c2O1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC6A3 Q01959 2/20 0.32
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 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
SCHEMBL11113792 0.83 PARP1 (0.34) SLC6A3RXRARXRBRXRG
SCHEMBL11102648 0.78 DRD2 (0.37)
SCHEMBL11485763 0.74 PARP1 (0.55) RXRARXRBRXRG
SCHEMBL10801507 0.72 GAA (0.33) RXRARXRBRXRG
SCHEMBL11114385 0.71 CXCR5 (0.36) KDM4EALDH1A1HPGDRXRARXRB
SCHEMBL11108245 0.70 KMT2A (0.36)
SCHEMBL10801217 0.67 RXRA (0.32) RXRARXRBRXRG
SCHEMBL11109609 0.67 ALDH1A1 (0.33) KDM4EALDH1A1RXRARXRBRXRG
SCHEMBL946263 0.66 LMNA (0.49) KDM4EALDH1A1
SCHEMBL11110558 0.66 ALDH1A1 (0.35) KDM4EALDH1A1RXRARXRBRXRG

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-0103173-A1 Carbamic-acid esters, process and starting material for their preparation, parasiticides containing these esters as active products, as well as the use of such esters and agents in combating parasites F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-03-21 EP claimed