SCHEMBL4633654

SCHEMBL4633654

COCCOc1ccc(C(=O)O)c(OCc2ccc(Cl)cc2Cl)c1C

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 2/20 0.58
FABP4 P15090 2/20 0.58
FABP5 Q01469 2/20 0.58
MRGPRX4 Q96LA9 7/20 0.53
HDAC8 Q9BY41 2/20 0.47
NR4A2 P43354 2/20 0.46
PTGER1 P34995 2/20 0.45
NR4A1 P22736 1/20 0.44
NR4A3 Q92570 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC26A4 O43511 1/20 0.42
POLB P06746 1/20 0.42
S1PR4 O95977 1/20 0.42

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
SCHEMBL3194387 0.90 FABP3 (0.60) FABP3FABP4FABP5MRGPRX4HDAC8
SCHEMBL3194755 0.83 PTGER3 (0.45) FABP3FABP4FABP5MRGPRX4HDAC8
SCHEMBL3194736 0.83 PTGER3 (0.45) FABP3FABP4FABP5MRGPRX4HDAC8
SCHEMBL3221047 0.80 FABP3 (0.47) FABP3FABP4FABP5MRGPRX4HDAC8
SCHEMBL3210788 0.77 FABP3 (0.44) FABP3FABP4FABP5MRGPRX4HDAC8
SCHEMBL1505166 0.76 GAA (0.60) MRGPRX4PTGER1ALDH1A1GAASMN1; SMN2
SCHEMBL19859014 0.76 TSHR (0.47) MRGPRX4ALDH1A1GAAKDM4CKMT2A
SCHEMBL5839536 0.74 FABP4 (1.00) FABP3FABP4FABP5MRGPRX4HDAC8
SCHEMBL3198974 0.73 PTGER3 (0.46) FABP3FABP4FABP5MRGPRX4HDAC8
SCHEMBL3198991 0.73 PTGER3 (0.46) FABP3FABP4FABP5MRGPRX4HDAC8

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
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO disclosed