SCHEMBL13758708

SCHEMBL13758708

CCC(=O)N(c1cc(C2=CCCCC2)sc1C(=O)OC)C1CCC(=O)CC1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
JAK2 O60674 1/20 0.30
JAK3 P52333 1/20 0.30
MAPT P10636 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
SCHEMBL13758705 0.90 OPRD1 (0.32) KDM4EHTTATMJAK2JAK3
SCHEMBL2620381 0.90 SLC6A4 (0.34) KDM4EHTTATMJAK2JAK3
SCHEMBL2620387 0.90 MAPT (0.31) KDM4EHTTATMMAPT
SCHEMBL2619765 0.89 OPRD1 (0.32)
SCHEMBL13758707 0.87
SCHEMBL2107566 0.86 NR1I2 (0.33) KDM4EHTTATM
SCHEMBL2107567 0.86 NR1I2 (0.33) KDM4EHTTATM
SCHEMBL2620473 0.86
SCHEMBL10240847 0.85 OPRD1 (0.37)
SCHEMBL2624346 0.84 OPRM1 (0.41)

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-7569600-B2 Compounds and methods for the treatment of prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2009-08-04 US disclosed