SCHEMBL4352709

SCHEMBL4352709

CC1(COC(=O)N2CCC(C3OCc4cc(-c5ccc(C(=O)NC(C)(C)CO)cc5)ccc4O3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
GPR119 Q8TDV5 8/20 0.33
ABL1 P00519 1/20 0.33
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KIF18A Q8NI77 1/20 0.31
ENPP2 Q13822 1/20 0.31
P2RY12 Q9H244 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL13586044 0.91 ALDH1A1 (0.37) GPR119ABL1MEN1KMT2AP2RY12
SCHEMBL4353425 0.89 SCD5 (0.36) GPR119ENPP2P2RY12
SCHEMBL13586062 0.88 PTPN2 (0.44) HDAC1HDAC2GPR119ABL1PTPN2
SCHEMBL4350129 0.88 KDM4E (0.37) GPR119
SCHEMBL4350015 0.88 GPR119 (0.41) HDAC1HDAC2GPR119MEN1KMT2A
SCHEMBL4353651 0.88 KCNH2 (0.38) MEN1KMT2AENPP2
SCHEMBL4522943 0.86 ALDH1A1 (0.36) HDAC1HDAC2GPR119MEN1KMT2A
SCHEMBL4534628 0.86 GPR119 (0.40) GPR119
SCHEMBL4531783 0.86 ABL1 (0.34) GPR119ABL1KMT2A
SCHEMBL4348559 0.86 MAPK14 (0.37) GPR119

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