SCHEMBL4355670

SCHEMBL4355670

CS(=O)(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)OCc4ccccc4)CC2)O3)c(NCCN2CCOCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ACKR3 P25106 1/20 0.36
F13A1 P00488 2/20 0.35
TGM2 P21980 2/20 0.35
TGM1 P22735 2/20 0.35
MCL1 Q07820 1/20 0.35
CA9 Q16790 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL4521875 0.96 TRPV4 (0.40) TRPV4CA1CA2CA7MAPT
SCHEMBL4355151 0.90 TGM2 (0.36) CA1CA2CA7MAPTF13A1
SCHEMBL4359263 0.89 TGM2 (0.35) F13A1TGM2TGM1MMP1MMP2
Trifluoroacetic Acid SCHEMBL4538218 0.86 TGM2 (0.34) F13A1TGM2TGM1MMP1MMP2
Trifluoroacetic Acid SCHEMBL4531639 0.85 GPR119 (0.34) F13A1TGM2TGM1MMP1MMP2
SCHEMBL4539175 0.85 F13A1 (0.43) TRPV4CA1CA2CA7MAPT
SCHEMBL4533901 0.84 SMN1; SMN2 (0.39) MEN1KMT2ANPSR1F13A1TGM2
SCHEMBL4350023 0.84 SMN1; SMN2 (0.40) CA1CA2CA7MEN1KMT2A
SCHEMBL4526460 0.83 SMN1; SMN2 (0.43) MEN1KMT2ANPSR1F13A1TGM2
SCHEMBL4358448 0.82 NPC1 (0.41) MAPTMEN1KMT2ANPSR1F13A1

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