SCHEMBL4336590

SCHEMBL4336590

CCCc1onc(CO)c1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HTT P42858 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
PTGS1 P23219 1/20 0.34
GHSR Q92847 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 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
SCHEMBL18605355 0.89 LMNA (0.43) LMNAALDH1A1HTTL3MBTL1SMN1; SMN2
SCHEMBL4348580 0.88 LMNA (0.42) LMNAALDH1A1HTTL3MBTL1SMN1; SMN2
SCHEMBL4337377 0.83 LMNA (0.39) LMNAALDH1A1HTTL3MBTL1SMN1; SMN2
SCHEMBL13283814 0.82 HTT (0.47) LMNAALDH1A1HTTL3MBTL1HSD17B10
SCHEMBL28804378 0.78 ALDH1A1 (0.43) LMNAALDH1A1HTTL3MBTL1SMN1; SMN2
SCHEMBL4946160 0.78 POLB (0.45) LMNAALDH1A1HTTL3MBTL1SMN1; SMN2
SCHEMBL4951120 0.78 POLB (0.45) LMNAALDH1A1HTTL3MBTL1SMN1; SMN2
SCHEMBL18605168 0.77 ALDH1A1 (0.42) LMNAALDH1A1HTTL3MBTL1SMN1; SMN2
SCHEMBL4336583 0.77 KMT2A (0.41) LMNAALDH1A1HTTL3MBTL1SMN1; SMN2
SCHEMBL9603193 0.76 LMNA (0.55) LMNAALDH1A1HTTL3MBTL1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079307-A2 FARNESOID X RECEPTOR AGONISTS SmithKline Beecham Corporation (US) 2009-07-22 EP disclosed
WO-2008051942-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-02 WO disclosed