SCHEMBL8224635

SCHEMBL8224635

CCC(C)C(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
FBP1 P09467 1/20 0.40
CRHR1 P34998 1/20 0.39
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL10019207 0.79 FFAR1 (0.50) KMT2AMEN1LMNAMAPTMAPK1
SCHEMBL27489436 0.78 KDM4E (0.39) KMT2AMEN1LMNAHPGDNPSR1
Phosphine SCHEMBL28777955 0.77 KDM4E (0.39) KMT2AMEN1LMNAMAPTMAPK1
SCHEMBL29077373 0.76 TAS1R3 (0.49) KMT2AMEN1LMNATP53SMN1; SMN2
SCHEMBL25468277 0.76 KMT2A (0.40) KMT2AMEN1NPSR1SMN1; SMN2KDM4E
SCHEMBL5997084 0.75 HPGD (0.43) KMT2AMEN1LMNAMAPTMAPK1
SCHEMBL8839023 0.75 HPGD (0.43) KMT2AMEN1LMNAMAPTMAPK1
SCHEMBL7587990 0.74 ALDH1A1 (0.39) KMT2AMEN1LMNAMAPTMAPK1
SCHEMBL9170786 0.74 HRH3 (0.60) KMT2AMEN1LMNAMAPTMAPK1
SCHEMBL10850810 0.73 HRH3 (0.62) KMT2AMEN1LMNAMAPTMAPK1

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
WO-2008033460-A2 TREATING PAIN, DIABETES, AND LIPID METABOLISM DISORDERS SCHERING CORPORATION (US) 2008-03-20 WO disclosed
WO-2008033456-A1 SPIRO-CONDENSED AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABILISM SCHERING CORPORATION (US) 2008-03-20 WO disclosed