SCHEMBL14865411

SCHEMBL14865411

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
SLC1A1 P43005 1/20 0.46
CA12 O43570 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
FOLH1 Q04609 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL27904910 0.83 BLM (0.47) TSHRSLC1A1CA12CA14CA7
SCHEMBL125808 0.81
SCHEMBL19792377 0.81 LMNA (0.47) TSHRLMNAHSD17B10MAPTHTT
SCHEMBL21164254 0.80 SLC1A1 (0.45) TSHRSLC1A1CA12CA14CA7
SCHEMBL3685300 0.80 TSHR (0.52) TSHRSLC1A1CA12CA14CA7
SCHEMBL3309517 0.80 TSHR (0.52) TSHRSLC1A1CA12CA14CA7
SCHEMBL121006 0.80 TSHR (0.52) TSHRSLC1A1CA12CA14CA7
SCHEMBL3584800 0.80 TSHR (0.52) TSHRSLC1A1CA12CA14CA7
SCHEMBL12951352 0.80 TSHR (0.52) TSHRSLC1A1CA12CA14CA7
SCHEMBL19326985 0.80 TSHR (0.52) TSHRSLC1A1CA12CA14CA7

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-1806342-B1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2013-04-17 EP disclosed