SCHEMBL4539175

SCHEMBL4539175

O=C(OCc1ccccc1)N1CCC(C2OCc3cc(-c4ccc(S(=O)(=O)NCCN5CCOCC5)cc4)ccc3O2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 4/20 0.43
TGM2 P21980 4/20 0.43
TGM1 P22735 4/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TRPV4 Q9HBA0 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
PHGDH O43175 1/20 0.39
EPHX2 P34913 2/20 0.38
NAMPT P43490 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
CA9 Q16790 1/20 0.37

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
SCHEMBL4347882 0.85 EPHX2 (0.44) KMT2AALDH1A1EPHX2NAMPTPOLB
SCHEMBL4355670 0.85 TRPV4 (0.38) F13A1TGM2TGM1CA1CA2
SCHEMBL4526460 0.84 SMN1; SMN2 (0.43) F13A1TGM2TGM1KMT2AMEN1
Trifluoroacetic Acid SCHEMBL4521875 0.82 TRPV4 (0.40) F13A1TGM2TGM1CA1CA2
SCHEMBL4351624 0.81 ENPP2 (0.44) F13A1TGM2TGM1KMT2AMEN1
SCHEMBL4533655 0.79 SMN1; SMN2 (0.47) KMT2AMEN1NPSR1MAPT
SCHEMBL4355143 0.77 GPR119 (0.46) KMT2AMEN1NPSR1
SCHEMBL4347881 0.77 GPR119 (0.42) F13A1TGM2TGM1
SCHEMBL4536272 0.76 KMT2A (0.43) TGM2KMT2AMEN1NPSR1
SCHEMBL4533901 0.76 SMN1; SMN2 (0.39) F13A1TGM2TGM1KMT2AMEN1

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