SCHEMBL10509970

SCHEMBL10509970

O=C(O[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.48
SRR Q9GZT4 2/20 0.45
ALDH1A1 P00352 3/20 0.45
PPARG P37231 4/20 0.44
PPARA Q07869 3/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CTRB1 P17538 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LTA4H P09960 1/20 0.43
LAP3 P28838 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
SCHEMBL24115494 0.87 PPARG (0.47) KLK7PPARGPPARALTA4HLAP3
SCHEMBL9554385 0.86 SRR (0.57) KLK7SRRPPARGPPARA
SCHEMBL10525510 0.84 ALDH1A1 (0.57) KLK7ALDH1A1MAPK1L3MBTL1SLC6A2
SCHEMBL22035801 0.81 ALDH1A1 (0.61) SRRALDH1A1PPARGPPARAMAPK1
SCHEMBL9555203 0.81 CTSB (0.48) SRRALDH1A1PPARGPPARAMAPK1
SCHEMBL19456196 0.79 ALDH1A1 (0.52) SRRALDH1A1PPARGPPARAMAPK1
SCHEMBL19456194 0.79 ALDH1A1 (0.52) SRRALDH1A1PPARGPPARAMAPK1
SCHEMBL9554866 0.78 PPARG (0.49) SRRALDH1A1PPARGPPARAMAPK1
SCHEMBL10389915 0.78 ALDH1A1 (0.47) SRRALDH1A1PPARGPPARAMAPK1
SCHEMBL9665207 0.78 ALDH1A1 (0.47) SRRALDH1A1PPARGPPARAMAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0310918-A2 Peptide-like amino-acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-04-12 EP disclosed