SCHEMBL11526124

SCHEMBL11526124

CCC1(C)Cc2ccc(C(C)C(=O)OC)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.41
PTGS2 P35354 2/20 0.41
PTGS1 P23219 1/20 0.41
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.34
MAOB P27338 2/20 0.34
KARS1 Q15046 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33

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
SCHEMBL11527873 0.89 MAPK1 (0.40) MT-CO2PSEN1PSEN2APH1BNCSTN
SCHEMBL11533788 0.86 MT-CO2 (0.45) MT-CO2PTGS2PTGS1PSEN1PSEN2
SCHEMBL11533787 0.85 L3MBTL1 (0.40) PTGS2PSEN1PSEN2APH1BNCSTN
SCHEMBL11528464 0.85 AKR1C3 (0.46) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL11531372 0.74 MT-CO2 (0.42) MT-CO2PTGS2PTGS1PSEN1PSEN2
SCHEMBL11527230 0.72 MAPK1 (0.39) MAPK1
SCHEMBL11535068 0.71 PTGS2 (0.48) MT-CO2PTGS2PTGS1PSEN1PSEN2
SCHEMBL17926669 0.71 HPGD (0.39) HPGDTDP1MAPK1KARS1
SCHEMBL11013758 0.71 HDAC1 (0.43) MT-CO2PTGS2PTGS1PSEN1PSEN2
SCHEMBL11529076 0.70 MT-CO2 (0.44) MT-CO2PTGS2PTGS1PSEN1PSEN2

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