SCHEMBL9803167

SCHEMBL9803167

C[C@@H]1C(=O)N(Cc2ccccc2)C[C@@H]1C=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
GRM2 Q14416 2/20 0.43
BRD4 O60885 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PREP P48147 1/20 0.41
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
SIRT5 Q9NXA8 1/20 0.40
ALDH1A1 P00352 2/20 0.40
EHMT2 Q96KQ7 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL9802568 1.00 HPGD (0.43) HPGDTSHRGRM2BRD4MEN1
SCHEMBL9802562 1.00 HPGD (0.43) HPGDTSHRGRM2BRD4MEN1
SCHEMBL9802576 1.00 HPGD (0.43) HPGDTSHRGRM2BRD4MEN1
SCHEMBL9803156 1.00 HPGD (0.43) HPGDTSHRGRM2BRD4MEN1
SCHEMBL29136230 0.87 HPGD (0.42) HPGDTSHRGRM2BRD4MEN1
SCHEMBL13484174 0.81 HPGD (0.47) HPGDTSHRGRM2BRD4MEN1
SCHEMBL9766998 0.80 HPGD (0.46) HPGDTSHRGRM2BRD4MEN1
SCHEMBL3201676 0.78 DPP4 (0.50) HPGDTSHRGRM2BRD4MEN1
SCHEMBL3185962 0.78 DPP4 (0.50) HPGDTSHRGRM2BRD4MEN1
SCHEMBL3201687 0.78 DPP4 (0.50) HPGDTSHRGRM2BRD4MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5049577-A 2-pyrrolidone substituted dihydroxy alkanoic, alkenoic and alkynoic acids, compositions and HMG-CoA reductase inhibition therewith E. R. SQUIBB & SONS, INC. (US) 1991-09-17 US disclosed