SCHEMBL11097142

SCHEMBL11097142

O=C(O)C(O)Sc1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CES2 O00748 2/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
PPARG P37231 5/20 0.46
PPARA Q07869 2/20 0.46
KDM4E B2RXH2 2/20 0.46
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 2/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
SRD5A2 P31213 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL6956928 0.85 CES2 (0.47) ATML3MBTL1CES2ALDH1A1POLB
SCHEMBL6549986 0.79 PPARG (0.53) ATML3MBTL1ALDH1A1POLBGAA
Hydrochloric Acid SCHEMBL6548048 0.78 PPARG (0.52) ATML3MBTL1ALDH1A1POLBGAA
SCHEMBL5950803 0.75 GAA (0.50) ATML3MBTL1CES2ALDH1A1POLB
SCHEMBL5950911 0.75 GAA (0.50) ATML3MBTL1CES2ALDH1A1POLB
SCHEMBL5950750 0.75 GAA (0.50) ATML3MBTL1CES2ALDH1A1POLB
SCHEMBL11599874 0.75 LMNA (0.41) POLBPPARGPPARAMAPTALOX5
SCHEMBL4552643 0.74 LMNA (0.44) L3MBTL1ALDH1A1POLBGAAMAPT
SCHEMBL74368 0.74 LMNA (0.44) L3MBTL1ALDH1A1POLBGAAMAPT
SCHEMBL10483938 0.74 ACP3 (0.51) ATML3MBTL1CES2ALDH1A1POLB

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
US-4461911-A FROM THIOGLYCOLIC ACID AND AN ARYLDIAZONIUM SALT, COPPER SALT, ACID MEDIUM BAYER AKTIENGESELLSCHAFT (DE) 1984-07-24 US disclosed