SCHEMBL4533473

SCHEMBL4533473

O=C(NCCO)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)O)CC2)O3)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
CD274 Q9NZQ7 2/20 0.39
CYP11B2 P19099 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
PTK2 Q05397 1/20 0.36
HPGD P15428 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
NAMPT P43490 2/20 0.35
GAA P10253 1/20 0.35
FYN P06241 1/20 0.34
LRRK2 Q5S007 1/20 0.34
CHRM4 P08173 1/20 0.34

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
SCHEMBL4361277 0.95 MAPK14 (0.40) LMNACD274SLC6A2SLC6A4NAMPT
SCHEMBL4530802 0.91 LMNA (0.51) LMNACD274HPGDSLC6A2SLC6A4
SCHEMBL4540129 0.90 ALDH1A1 (0.43) LMNACD274HPGDNAMPTCHRM4
SCHEMBL4538002 0.90 NPY2R (0.42) CD274SLC6A4NAMPTGAA
SCHEMBL4350134 0.89 CD274 (0.36) LMNACD274HPGDSLC6A2SLC6A4
SCHEMBL4358687 0.89 SMN1; SMN2 (0.46) LMNA
SCHEMBL4533472 0.88 KMT2A (0.44) SLC6A4GAA
SCHEMBL4538200 0.87 POLB (0.42) LMNACD274HPGDGAA
SCHEMBL4360517 0.87 NAMPT (0.41) LMNACD274NAMPT
SCHEMBL4533099 0.87 GPR119 (0.47) CD274

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-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed