SCHEMBL4239306

SCHEMBL4239306

COC(=O)CCC(C#N)(CCC(=O)OC)c1cccc2c1cc(Cc1ccccc1)n2C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
LTA4H P09960 2/20 0.33
MTNR1A P48039 4/20 0.33
MTNR1B P49286 4/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 3/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
PRNP P04156 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
APP P05067 1/20 0.32
SNCA P37840 1/20 0.32
CNR2 P34972 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA12 O43570 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
SCHEMBL4239309 0.75 HTT (0.37) POLBKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL11821422 0.75 CYP1A2 (0.48) POLBKDM4EALDH1A1MAPTHPGD
SCHEMBL8021561 0.71 ALDH1A1 (0.39) POLBKDM4EALDH1A1LMNAMAPT
SCHEMBL11920949 0.70 ALDH1A1 (0.39) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL11093234 0.70 ALDH1A1 (0.39) CYP11B1CYP11B2KDM4EALDH1A1LMNA
SCHEMBL734030 0.69 KCNN4 (0.42) POLBKDM4EALDH1A1LMNAMAPT
SCHEMBL3932718 0.67 ALDH1A1 (0.41) LTA4HCYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL10249534 0.67 RAB9A (0.42) KDM4ESMN1; SMN2
SCHEMBL4431139 0.67 CNR1 (0.41) POLBALDH1A1LMNAMAPTHPGD
SCHEMBL19145997 0.66 ALDH1A1 (0.42) POLBKDM4EALDH1A1LMNAMAPT

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
WO-2009115874-A2 NOVEL HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-09-24 WO disclosed