SCHEMBL7323219

SCHEMBL7323219

CCc1cccc(OC(CC)(C(=O)O)C(=O)O)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
FABP4 P15090 3/20 0.36
FABP5 Q01469 3/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CXCL8 P10145 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
HTR1A P08908 2/20 0.34
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
DRD3 P35462 2/20 0.34
PPARA Q07869 2/20 0.34
PPARG P37231 1/20 0.33

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
SCHEMBL10907463 0.83 KDM4E (0.53) GABRA1GABRB2ALDH1A1KMT2AKDM4E
SCHEMBL6180298 0.81 KMT2A (0.41) GABRA1GABRB2ALDH1A1KMT2AL3MBTL1
SCHEMBL7324343 0.76 CA12 (0.42) ALDH1A1GAAL3MBTL1KDM4EHSD17B10
SCHEMBL7323725 0.74 TSHR (0.41) GABRA1GABRB2ALDH1A1KMT2AL3MBTL1
SCHEMBL15676611 0.74 RIPK1 (0.43) ALDH1A1L3MBTL1KDM4EHSD17B10CXCL8
SCHEMBL7737265 0.73 HTR2A (0.43) GABRA1GABRB2L3MBTL1CXCL8HTR1A
SCHEMBL8340504 0.71 KDM4E (0.45) GABRA1GABRB2L3MBTL1KDM4EHTR1A
SCHEMBL1805352 0.70 PPARG (0.43) ALDH1A1KMT2AL3MBTL1PPARAPPARG
SCHEMBL7329544 0.69 HSD17B10 (0.51) ALDH1A1KMT2AHSD17B10
SCHEMBL10931666 0.68 GABRA1 (0.39) GABRA1GABRB2ALDH1A1GAAKMT2A

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-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 EP disclosed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP disclosed