SCHEMBL3133522

SCHEMBL3133522

CCOc1cc(CN2CCC(n3nnc4cc(OC(=O)O)ccc43)CC2)ccc1OC(CC)CC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 5/20 0.45
USP2 O75604 3/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 4/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
UBE2N P61088 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL3137243 0.94 ALOX15 (0.46) ALOX15HSD17B10ALDH1A1LMNAUSP2
SCHEMBL3137489 0.92 ALDH1A1 (0.46) ALOX15HSD17B10ALDH1A1LMNAUSP2
SCHEMBL3125839 0.90 MAPK1 (0.52) ALOX15HSD17B10ALDH1A1LMNAUSP2
SCHEMBL3135556 0.90 ALOX15 (0.46) ALOX15HSD17B10ALDH1A1LMNAUSP2
SCHEMBL3104460 0.89 HCAR3 (0.52) ALOX15HSD17B10ALDH1A1LMNAUSP2
SCHEMBL3132222 0.87 ALDH1A1 (0.50) ALOX15HSD17B10ALDH1A1LMNAUSP2
SCHEMBL3133939 0.87 ALOX15 (0.45) ALOX15HSD17B10ALDH1A1LMNAUSP2
SCHEMBL3138171 0.87 ALDH1A1 (0.51) ALOX15HSD17B10ALDH1A1LMNAUSP2
SCHEMBL3138758 0.87 SSTR5 (0.49) ALOX15HSD17B10ALDH1A1LMNAUSP2
SCHEMBL3130756 0.87 ALOX15 (0.44) ALOX15HSD17B10ALDH1A1LMNAUSP2

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
EP-2142528-B1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS HOFFMANN LA ROCHE (CH) 2010-07-07 EP claimed