SCHEMBL11113665

SCHEMBL11113665

CC(C)(Cc1c[nH]nn1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 2/20 0.31
CYP1A2 P05177 1/20 0.31
PLA2G10 O15496 1/20 0.31
PLA2G2A P14555 1/20 0.31
PPARA Q07869 1/20 0.30
PTGES2 Q9H7Z7 1/20 0.30

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
SCHEMBL11192052 0.87
SCHEMBL28317315 0.83 MEN1 (0.35)
SCHEMBL5531414 0.80 PPARA (0.39) CYP4F2CYP4A11CYP2C9CYP1A2PPARA
SCHEMBL5538955 0.79 ACLY (0.40) CYP4F2CYP4A11CYP2C9CYP1A2PPARA
SCHEMBL5960425 0.77
SCHEMBL11212032 0.74 MEN1 (0.34) CYP2C9CYP1A2
SCHEMBL10456702 0.74 CYP1A2 (0.35) CYP2C9CYP1A2
SCHEMBL12493481 0.73
SCHEMBL1966242 0.73 MAPK1 (0.31)
SCHEMBL11192016 0.73 MEN1 (0.35) CYP1A2

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-0127847-A1 7-Oxo-4-thia-1-azabicyclo(3.2.0)hept-2-ene derivatives HOECHST UK LIMITED (GB) 1984-12-12 EP disclosed