SCHEMBL4540129

SCHEMBL4540129

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
NAMPT P43490 3/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK14 Q16539 1/20 0.39
BRAF P15056 2/20 0.39
HPGD P15428 2/20 0.38
CD274 Q9NZQ7 2/20 0.37
CHRM4 P08173 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
RAF1 P04049 1/20 0.36

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
SCHEMBL4538611 0.92 HPGD (0.42) ALDH1A1LMNATP53MAPTKMT2A
SCHEMBL4354226 0.91 KDM4E (0.45) ALDH1A1NAMPTKMT2ASMN1; SMN2MEN1
SCHEMBL4533473 0.90 LMNA (0.40) NAMPTLMNAHPGDCD274CHRM4
SCHEMBL4529951 0.89 GPR119 (0.46) ALDH1A1KMT2AMEN1HPGDCD274
SCHEMBL4538002 0.89 NPY2R (0.42) NAMPTTP53MAPTKMT2ASMN1; SMN2
SCHEMBL4361277 0.89 MAPK14 (0.40) NAMPTLMNAMAPK14CD274DRD2
SCHEMBL4352065 0.87 ALDH1A1 (0.39) ALDH1A1NAMPTLMNATP53MAPT
SCHEMBL4350134 0.87 CD274 (0.36) NAMPTLMNAMAPTHPGDCD274
SCHEMBL4534161 0.86 SCD5 (0.41) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4540400 0.86 GPR119 (0.35) NAMPTKMT2ASMN1; SMN2MEN1CD274

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