SCHEMBL9632009

SCHEMBL9632009

CS(=O)(=O)O[C@@H](Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.56
PPARA Q07869 12/20 0.56
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
ADAM17 P78536 1/20 0.46
CA2 P00918 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
PPARD Q03181 1/20 0.43

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
SCHEMBL6438045 0.84 SRR (0.59) PPARGPPARAACE
SCHEMBL6438277 0.84 SRR (0.59) PPARGPPARAACE
SCHEMBL15446199 0.80 SRR (0.68) PPARGPPARAHTR2AHTR2CHTR2B
SCHEMBL15446174 0.80 SRR (0.68) PPARGPPARAHTR2AHTR2CHTR2B
SCHEMBL6063623 0.78 PPARG (0.67) PPARGPPARAPPARD
SCHEMBL26357303 0.78 SLC1A3 (0.62) PPARGPPARASLC1A3SLC1A2SLC1A1
SCHEMBL6795555 0.77 HTR2A (0.46) PPARGPPARAMMP1MMP9MMP13
SCHEMBL26357253 0.77 PPARG (0.58) PPARGPPARASLC1A3SLC1A2SLC1A1
SCHEMBL14498314 0.76 POLB (0.48) PPARGPPARA
SCHEMBL22767763 0.76 PPARG (0.57) PPARGPPARASLC1A3SLC1A2SLC1A1

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-0487667-A1 PROCESS FOR PRODUCING ENANTIOMER-PURE $g(a)-HYDROXYLPROPONIOALDEHYDE DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1992-06-03 EP disclosed
WO-1992000275-A1 PROCESS FOR PRODUCING ENANTIOMER-PURE α-HYDROXYLPROPONIOALDEHYDE DERIVATIVES SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1992-01-09 WO disclosed