SCHEMBL9614038

SCHEMBL9614038

CCCCCCCCCCCCCCCCCCN(C)CC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)NC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.40
PLA2G2A P14555 2/20 0.37
PLA2G10 O15496 1/20 0.37
PLA2G1B P04054 1/20 0.37
PLA2G5 P39877 1/20 0.37
EBP Q15125 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ICMT O60725 1/20 0.34
ALB P02768 1/20 0.34
GGPS1 O95749 3/20 0.34
CTSK P43235 2/20 0.34
ACHE P22303 2/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33
CMA1 P23946 1/20 0.33
NPC1 O15118 1/20 0.33
JAK2 O60674 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
SCHEMBL9614106 0.91 HDAC6 (0.39) HDAC6PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL9614104 0.87 HDAC6 (0.39) HDAC6PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL9575720 0.83 PLA2G2A (0.43) PLA2G2APLA2G10PLA2G1BPLA2G5NPC1
SCHEMBL9671339 0.80 TLR2 (0.39) HDAC6PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL9614113 0.80 PLA2G2A (0.38) HDAC6PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL9613862 0.80 ABCB1 (0.41) HDAC6EBPSIGMAR1GGPS1CTSK
SCHEMBL9669469 0.79 HDAC6 (0.41) HDAC6
SCHEMBL9613936 0.76 GGPS1 (0.44) GGPS1
SCHEMBL10940286 0.73 ALDH1A1 (0.41) HDAC6PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL10833241 0.72 PLA2G2A (0.43) HDAC6PLA2G2APLA2G10PLA2G1BPLA2G5

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