SCHEMBL4538215

SCHEMBL4538215

COC(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)c4ccccc4)CC2)O3)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
HPGD P15428 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RBP4 P02753 1/20 0.43
ACHE P22303 2/20 0.42
BACE1 P56817 2/20 0.42
CYP2C19 P33261 1/20 0.42
MGLL Q99685 1/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4355595 0.90 POLB (0.54) PTPN2PTPN1HPGDALDH1A1SMN1; SMN2
SCHEMBL4520212 0.89 PTPN2 (0.47) PTPN2PTPN1HPGDALDH1A1SMN1; SMN2
SCHEMBL13586060 0.89 SMN1; SMN2 (0.47) PTPN2PTPN1HPGDALDH1A1SMN1; SMN2
SCHEMBL4538611 0.87 HPGD (0.42) PTPN2PTPN1HPGDALDH1A1SMN1; SMN2
SCHEMBL13586029 0.87 PTPN2 (0.44) PTPN2PTPN1HPGDALDH1A1SMN1; SMN2
SCHEMBL13586043 0.86 NPY2R (0.43) PTPN2PTPN1ALDH1A1SMN1; SMN2CYP2C19
SCHEMBL13586061 0.86 MEN1 (0.49) PTPN2PTPN1ALDH1A1SMN1; SMN2CYP2C19
SCHEMBL4533655 0.86 SMN1; SMN2 (0.47) SMN1; SMN2CYP2C19HTTMEN1KMT2A
SCHEMBL4537918 0.85 PTPN2 (0.43) PTPN2PTPN1ALDH1A1SMN1; SMN2ACHE
SCHEMBL4534565 0.85 KDM4E (0.40) HPGDALDH1A1SMN1; SMN2LMNAHTT

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

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