SCHEMBL9542428

SCHEMBL9542428

[CH2]CSCC(=O)OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.39
TSHR P16473 3/20 0.37
ALDH1A1 P00352 6/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 4/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.34
PRNP P04156 2/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL14353167 0.86 LMNA (0.45) LMNATSHRALDH1A1HPGDMAPT
SCHEMBL12056607 0.80 LMNA (0.45) LMNATSHRALDH1A1HPGDMAPT
SCHEMBL283888 0.77 LMNA (0.45) LMNATSHRALDH1A1HPGDMAPT
SCHEMBL2911453 0.75 LMNA (0.37) LMNATSHRALDH1A1HPGDMAPT
SCHEMBL9619467 0.75
SCHEMBL128912 0.74
SCHEMBL17123871 0.74 CYP1A2 (0.38) LMNATSHRALDH1A1HPGDMAPT
SCHEMBL7032255 0.74 TSHR (0.38) LMNATSHRALDH1A1HPGDMAPT
SCHEMBL7460510 0.74 LMNA (0.36) LMNATSHRALDH1A1HPGDMAPT
SCHEMBL10174626 0.73 LMNA (0.47) LMNATSHRALDH1A1HPGDMAPT

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
WO-1993013664-A2 BIHETEROCYCLIC FUNGICIDAL COMPOUNDS SCHERING AGROCHEMICALS LIMITED (GB) 1993-07-22 WO disclosed