SCHEMBL8992132

SCHEMBL8992132

COc1ccc(COC(=O)C[C@@H](C)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.53
ATM Q13315 1/20 0.51
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 2/20 0.47
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
MMP1 P03956 3/20 0.46
FFAR1 O14842 3/20 0.46
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 1/20 0.45
FABP7 O15540 1/20 0.45
FABP5 Q01469 1/20 0.45
SLC15A1 P46059 1/20 0.45

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
SCHEMBL20346809 1.00 LDHA (0.53) LDHAATMALDH1A1NPC1POLB
SCHEMBL7360535 0.89 ALDH1A1 (0.49) LDHAATMALDH1A1NPC1POLB
SCHEMBL7360527 0.89 ALDH1A1 (0.49) LDHAATMALDH1A1NPC1POLB
SCHEMBL2574460 0.88 ALDH1A1 (0.51) LDHAATMALDH1A1NPC1POLB
SCHEMBL14517244 0.88 ALDH1A1 (0.48) LDHAATMALDH1A1NPC1POLB
SCHEMBL7669900 0.88 ALDH1A1 (0.51) LDHAATMALDH1A1NPC1POLB
SCHEMBL5317083 0.86 ALDH1A1 (0.51) LDHAATMALDH1A1NPC1POLB
SCHEMBL24387633 0.84 HTT (0.51) LDHAATMALDH1A1NPC1POLB
SCHEMBL24616786 0.84 HTT (0.51) LDHAATMALDH1A1NPC1POLB
SCHEMBL4900863 0.84 SLC15A1 (0.59) ATMALDH1A1KMT2AMAPK1L3MBTL1

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-5510378-A Retroviral protease inhibitors G.D. SEARLE & CO. (US) 1996-04-23 US disclosed