SCHEMBL8718189

SCHEMBL8718189

COC(=O)CC(C)(C)C(=O)c1ccc2c(c1)CC(N1C(=O)c3ccccc3C1=O)C2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.35
PTPRC P08575 2/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PDK2 Q15119 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 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
SCHEMBL8719002 0.88 L3MBTL1 (0.37) ALDH1A1NPSR1ATMSMN1; SMN2L3MBTL1
SCHEMBL8718162 0.81 L3MBTL1 (0.38) ALDH1A1NPSR1ATMSMN1; SMN2L3MBTL1
SCHEMBL8715545 0.77 PDE4A (0.39) ALDH1A1NPSR1ATMSMN1; SMN2L3MBTL1
SCHEMBL8718165 0.74 LMNA (0.40) ALDH1A1NPSR1ATMSMN1; SMN2L3MBTL1
SCHEMBL8716077 0.72 S1PR5 (0.43) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL3973868 0.71 HTR2A (0.47) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL3977324 0.69 CRBN (0.42) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL5183124 0.68 SRC (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL1099201 0.68 HTR2C (0.46) ALDH1A1L3MBTL1KMT2ATSHRACHE
SCHEMBL6588410 0.66 CYP2D6 (0.46) ALDH1A1NPSR1SMN1; SMN2L3MBTL1MEN1

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
US-5739132-A ENDOTHOXIN SHOCK; NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1998-04-14 US disclosed
EP-0579059-A1 Pyridazinone derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1994-01-19 EP disclosed