SCHEMBL4066394

SCHEMBL4066394

Cc1ccc2[nH]c(=O)c(CC(=O)O)cc2c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.50
KDM4E B2RXH2 8/20 0.49
ALDH1A1 P00352 5/20 0.49
MAPT P10636 4/20 0.49
GAA P10253 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 2/20 0.45
HPGD P15428 2/20 0.45
AKR1C2 P52895 1/20 0.45
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44

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
SCHEMBL31146056 0.85 AKR1C2 (0.49) PIM1KDM4EALDH1A1MAPTGAA
SCHEMBL4066152 0.78 ALDH1A1 (0.44) PIM1KDM4EALDH1A1MAPTGAA
SCHEMBL31145902 0.78 TSHR (0.44) PIM1KDM4EALDH1A1MAPTGAA
SCHEMBL4067945 0.73 HSD17B10 (0.61) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL31145982 0.72 GRIN2D (0.41) PIM1KDM4EALDH1A1MAPTGAA
SCHEMBL3107966 0.72 ALDH1A1 (0.54) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL14485203 0.71 KDM4E (0.65) PIM1KDM4EALDH1A1MAPTGAA
SCHEMBL31146266 0.71 KDM4E (0.65) PIM1KDM4EALDH1A1MAPTGAA
SCHEMBL5677293 0.71 EGLN1 (0.40) PIM1KDM4EALDH1A1MAPTGAA
SCHEMBL5678790 0.70 MAPK1 (0.61) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2

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
EP-2049118-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SmithKline Beecham Corporation (US) 2009-04-22 EP disclosed
WO-2008011551-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-24 WO disclosed