SCHEMBL9614113

SCHEMBL9614113

CCCCCCCCCCCCCCCCCCN(C)CC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.38
PLA2G10 O15496 1/20 0.38
PLA2G1B P04054 1/20 0.38
PLA2G5 P39877 1/20 0.38
HDAC6 Q9UBN7 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
EBP Q15125 1/20 0.34
GGPS1 O95749 3/20 0.33
CNR2 P34972 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ESR2 Q92731 1/20 0.31

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
SCHEMBL2920196 0.82 CYP2D6 (0.38) PLA2G2APLA2G10PLA2G1BPLA2G5TDP1
SCHEMBL10929242 0.81 PLA2G2A (0.45) PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL9614104 0.81 HDAC6 (0.39) PLA2G2APLA2G10PLA2G1BPLA2G5HDAC6
SCHEMBL9613862 0.80 ABCB1 (0.41) HDAC6SIGMAR1EBPGGPS1
SCHEMBL9614038 0.80 HDAC6 (0.40) PLA2G2APLA2G10PLA2G1BPLA2G5HDAC6
SCHEMBL9614106 0.79 HDAC6 (0.39) PLA2G2APLA2G10PLA2G1BPLA2G5HDAC6
SCHEMBL9614110 0.76 PLA2G2A (0.37) PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL10551620 0.75 PLA2G2A (0.39) PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL909696 0.72 CA1 (0.38)
SCHEMBL10881889 0.72 PLA2G2A (0.45) PLA2G2APLA2G10PLA2G1BPLA2G5

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-5116992-A Antitumor SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1992-05-26 US disclosed