SCHEMBL4533655

SCHEMBL4533655

COC(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)OCc4ccccc4)CC2)O3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
HTT P42858 1/20 0.43
CYP2C19 P33261 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
PPARG P37231 1/20 0.41
GRIN2B Q13224 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
ENPP2 Q13822 1/20 0.40
PDE4B Q07343 1/20 0.40
USP30 Q70CQ3 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TRPC3 Q13507 2/20 0.39
TRPC7 Q9HCX4 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL4534565 0.90 KDM4E (0.40) SMN1; SMN2HTTGPR119KMT2AMAPT
SCHEMBL4355143 0.89 GPR119 (0.46) SMN1; SMN2RAB9ANPC1HTTCYP2C19
SCHEMBL4536272 0.89 KMT2A (0.43) SMN1; SMN2RAB9ANPC1HTTCYP2C19
SCHEMBL4352115 0.88 GPR119 (0.46) SMN1; SMN2RAB9ANPC1HTTCYP2C19
SCHEMBL4351624 0.88 ENPP2 (0.44) SMN1; SMN2RAB9ANPC1HTTCYP2C19
SCHEMBL4526460 0.87 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1HTTCYP2C19
SCHEMBL4350085 0.86 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANPC1HTTCYP2C19
SCHEMBL4538215 0.86 PTPN2 (0.45) SMN1; SMN2HTTCYP2C19MEN1KMT2A
SCHEMBL4522943 0.86 ALDH1A1 (0.36) RAB9AHTTGPR119MEN1KMT2A
SCHEMBL4360439 0.82 TSHR (0.44) GPR119MEN1KMT2ANPSR1MAPT

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