SCHEMBL8924494

SCHEMBL8924494

O=C(O)CC[C]1C=CC=CN1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.38
FFAR1 O14842 5/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NR4A2 P43354 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
PTPRB P23467 1/20 0.32
CDC25A P30304 1/20 0.32
CDC25B P30305 1/20 0.32
PTEN P60484 1/20 0.32
PTPMT1 Q8WUK0 1/20 0.32
HDAC3 O15379 1/20 0.31
MAPK1 P28482 1/20 0.31
ADRA1A P35348 1/20 0.31
HDAC4 P56524 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7469530 0.70
SCHEMBL8924767 0.68 APEX1 (0.38) NPSR1HSD17B10CDC25ACDC25BMAPK1
SCHEMBL28396603 0.64
SCHEMBL7301173 0.64
Succinic Acid SCHEMBL2578311 0.61 LMNA (0.50) NR4A2HDAC3MAPK1HDAC1HDAC2
SCHEMBL28737712 0.60 NPSR1 (0.54) KEAP1FFAR1NPSR1CHRM1PTGER1
SCHEMBL5670212 0.58 KEAP1 (0.64) KEAP1FFAR1NPSR1FFAR4PTPRB
SCHEMBL69746 0.58 FFAR1 (0.81) KEAP1FFAR1FFAR4HDAC3MAPK1
Succinic Acid SCHEMBL30394694 0.57 LMNA (0.90) NPSR1CYP1A2HSD17B10HDAC3MAPK1
SCHEMBL23829749 0.57

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-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed