SCHEMBL4356468

SCHEMBL4356468

O=C(c1ccccc1)N1CCC(C2OCc3cc(-c4ccc(S(=O)(=O)CCO)cc4)ccc3O2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
LMNA P02545 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP2C19 P33261 1/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
TSHR P16473 2/20 0.37
KCNH2 Q12809 1/20 0.36
ADAMTS7 Q9UKP4 3/20 0.36
ADAMTS5 Q9UNA0 3/20 0.36
ADAMTS4 O75173 1/20 0.36
MMP1 P03956 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
SCHEMBL4353583 0.92 PTPN2 (0.40) PTPN2PTPN1LMNASMN1; SMN2HTT
SCHEMBL4537918 0.88 PTPN2 (0.43) PTPN2PTPN1LMNASMN1; SMN2HTT
SCHEMBL4349922 0.88 PTPN2 (0.43) PTPN2PTPN1LMNASMN1; SMN2HTT
SCHEMBL4356473 0.88 PTPN2 (0.43) PTPN2PTPN1LMNASMN1; SMN2HTT
SCHEMBL4520212 0.84 PTPN2 (0.47) PTPN2PTPN1LMNASMN1; SMN2ALDH1A1
SCHEMBL4530802 0.83 LMNA (0.51) PTPN2PTPN1LMNASMN1; SMN2ALDH1A1
SCHEMBL4355595 0.83 POLB (0.54) PTPN2PTPN1LMNASMN1; SMN2ALDH1A1
SCHEMBL4360055 0.82 ALDH1A1 (0.40) PTPN2PTPN1LMNASMN1; SMN2HTT
SCHEMBL13586029 0.82 PTPN2 (0.44) PTPN2PTPN1LMNASMN1; SMN2ALDH1A1
SCHEMBL4357579 0.82 PTPN2 (0.44) PTPN2PTPN1LMNASMN1; SMN2ALDH1A1

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

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