SCHEMBL11529451

SCHEMBL11529451

CCOC(=O)C(C)c1ccc2c(c1)CC(C(C)C)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGS2 P35354 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL11529076 0.86 MT-CO2 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11378024 0.85 PTGS2 (0.35) TDP1L3MBTL1PTGS2TSHR
SCHEMBL11377996 0.82 TDP1 (0.41) AKR1C3AKR1C2TDP1L3MBTL1PTGS2
Isoprofen SCHEMBL287354 0.81 PTGS2 (0.46) AKR1C3AKR1C2PTGS2MEN1KMT2A
SCHEMBL11377617 0.80 GRM7 (0.34) AKR1C3AKR1C2TDP1L3MBTL1PTGS2
Isoprofen SCHEMBL11727169 0.80 PTGS2 (0.45) AKR1C3AKR1C2PTGS2MEN1KMT2A
Isoprofen SCHEMBL11377622 0.80 PTGS2 (0.45) AKR1C3AKR1C2PTGS2MEN1KMT2A
SCHEMBL28815680 0.78 RAB9A (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
Isoprofen SCHEMBL11727175 0.78 LMNA (0.42) PTGS2MEN1MAPTKMT2ATSHR
SCHEMBL11527975 0.77 SMN1; SMN2 (0.39) L3MBTL1MEN1GAAMAPTKMT2A

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-4166131-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANTIARTHRITIC AGENT HEXACHIMIE SOCIETE ANONYME (FR) 1979-08-28 US disclosed