SCHEMBL11533788

SCHEMBL11533788

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.45
PTGS2 P35354 4/20 0.44
PTGS1 P23219 3/20 0.44
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
CDC42 P60953 1/20 0.35
RAC1 P63000 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
SCHEMBL11526124 0.86 MT-CO2 (0.41) MT-CO2PTGS2PTGS1HPGDTDP1
SCHEMBL11529146 0.83 PTGS2 (0.47) PTGS2PTGS1KMT2AMEN1AKR1C3
SCHEMBL11535068 0.76 PTGS2 (0.48) MT-CO2PTGS2PTGS1HPGDTDP1
SCHEMBL11529076 0.75 MT-CO2 (0.44) MT-CO2PTGS2PTGS1HPGDTDP1
SCHEMBL11527873 0.74 MAPK1 (0.40) MT-CO2TDP1L3MBTL1KMT2AMEN1
Hydrochloric Acid SCHEMBL10405724 0.74 MT-CO2 (0.43) MT-CO2PTGS2PTGS1HPGDTDP1
SCHEMBL11682946 0.72 RAB9A (0.44) MT-CO2PTGS2PTGS1KDM4EMAPT
SCHEMBL11679644 0.72 TDP1 (0.51) PTGS2PTGS1KDM4EMAPTHPGD
SCHEMBL11531372 0.72 MT-CO2 (0.42) MT-CO2PTGS2PTGS1HPGDTDP1
SCHEMBL11010931 0.72 MT-CO2 (0.42) MT-CO2PTGS2PTGS1HPGDTDP1

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