SCHEMBL8718162

SCHEMBL8718162

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 5/20 0.38
TSHR P16473 1/20 0.36
OPRM1 P35372 1/20 0.36
MAPK1 P28482 1/20 0.35
ATM Q13315 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 4/20 0.34
POLB P06746 2/20 0.34
SRD5A2 P31213 1/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GSK3B P49841 1/20 0.33
CSNK2A1 P68400 1/20 0.33
KDM4E B2RXH2 2/20 0.33
DRD2 P14416 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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 0.85 L3MBTL1 (0.37) L3MBTL1ALDH1A1TSHROPRM1MAPK1
SCHEMBL8718189 0.81 ALDH1A1 (0.39) L3MBTL1ALDH1A1TSHRMAPK1ATM
SCHEMBL8718165 0.77 LMNA (0.40) L3MBTL1ALDH1A1TSHRMAPK1ATM
SCHEMBL3977324 0.72 CRBN (0.42) L3MBTL1ALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL8715545 0.72 PDE4A (0.39) L3MBTL1ALDH1A1TSHROPRM1MAPK1
SCHEMBL1099201 0.71 HTR2C (0.46) L3MBTL1ALDH1A1TSHROPRM1KMT2A
SCHEMBL6588410 0.69 CYP2D6 (0.46) L3MBTL1ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL7697475 0.69 ALDH1A1 (0.53) L3MBTL1ALDH1A1TSHRSMN1; SMN2KMT2A
SCHEMBL3973868 0.69 HTR2A (0.47) L3MBTL1ALDH1A1TSHRSMN1; SMN2KMT2A
SCHEMBL3977717 0.68 ALDH1A1 (0.39) L3MBTL1ALDH1A1TSHROPRM1ATM

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