SCHEMBL8719002

SCHEMBL8719002

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.33
SRD5A2 P31213 1/20 0.33
OPRM1 P35372 1/20 0.33
GSK3B P49841 1/20 0.33
CSNK2A1 P68400 1/20 0.33
DRD2 P14416 1/20 0.32
DNMT1 P26358 3/20 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
SCHEMBL8718189 0.88 ALDH1A1 (0.39) L3MBTL1ALDH1A1TSHRMAPK1ATM
SCHEMBL8718162 0.85 L3MBTL1 (0.38) L3MBTL1ALDH1A1TSHRMAPK1ATM
SCHEMBL8718165 0.76 LMNA (0.40) L3MBTL1ALDH1A1TSHRMAPK1ATM
SCHEMBL6254740 0.76 SRD5A2 (0.60) L3MBTL1ALDH1A1NPSR1CYP2C19KMT2A
SCHEMBL3977324 0.71 CRBN (0.42) L3MBTL1ALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL8715545 0.71 PDE4A (0.39) L3MBTL1ALDH1A1TSHRMAPK1ATM
SCHEMBL1099201 0.70 HTR2C (0.46) L3MBTL1ALDH1A1TSHRKMT2AOPRM1
SCHEMBL6588410 0.69 CYP2D6 (0.46) L3MBTL1ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL3973868 0.68 HTR2A (0.47) L3MBTL1ALDH1A1TSHRSMN1; SMN2CYP2C19
SCHEMBL6400748 0.67 CYP2C19 (0.53) ALDH1A1TSHRMAPK1SMN1; SMN2CYP2C19

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