SCHEMBL14865334

SCHEMBL14865334

COC(=O)CCC1(C)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
KMT2A Q03164 4/20 0.38
EPHX2 P34913 3/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 2/20 0.36
CYP3A4 P08684 3/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33

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
SCHEMBL5505303 0.98 TSHR (0.48) TSHRKMT2AEPHX2LMNAMEN1
SCHEMBL8252653 0.94 TSHR (0.48) TSHRKMT2AEPHX2LMNAMEN1
SCHEMBL13417837 0.90 TSHR (0.52) TSHRKMT2AEPHX2LMNAMEN1
SCHEMBL5799860 0.89 TSHR (0.50) TSHRKMT2AEPHX2LMNACYP3A4
SCHEMBL15539095 0.81 TSHR (0.52) TSHRKMT2AEPHX2LMNAMEN1
SCHEMBL3891515 0.81 GLA (0.44) TSHRKMT2ALMNAMEN1CYP3A4
SCHEMBL29013244 0.80 TSHR (0.46) TSHRKMT2AEPHX2LMNAMEN1
SCHEMBL2151668 0.79 CYP3A4 (0.41) TSHRKMT2AEPHX2LMNAMEN1
SCHEMBL13500592 0.79 CYP3A4 (0.41) TSHRKMT2AEPHX2LMNAMEN1
SCHEMBL3447711 0.78 TSHR (0.44) TSHRKMT2AEPHX2LMNAMEN1

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