SCHEMBL10933731

SCHEMBL10933731

CCCCCCCCCCCCCCCCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.43
PLA2G10 O15496 1/20 0.43
PLA2G1B P04054 1/20 0.43
PLA2G5 P39877 1/20 0.43
KIF11 P52732 1/20 0.37
PRSS1 P07477 3/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
CSNK1E P49674 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TK1 P04183 2/20 0.34
CTSG P08311 2/20 0.34
CTRB1 P17538 2/20 0.34
CMA1 P23946 2/20 0.34
DUT P33316 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL10796999 1.00 PLA2G2A (0.43) PLA2G2APLA2G10PLA2G1BPLA2G5KIF11
SCHEMBL10796866 0.87 PLA2G2A (0.44) PLA2G2APLA2G10PLA2G1BPLA2G5KIF11
SCHEMBL10796580 0.87 PLA2G2A (0.44) PLA2G2APLA2G10PLA2G1BPLA2G5KIF11
SCHEMBL6700873 0.86 PRKD3 (0.48) PLA2G2APLA2G10PLA2G1BPLA2G5KIF11
SCHEMBL8638519 0.86 PRKD3 (0.48) PLA2G2APLA2G10PLA2G1BPLA2G5KIF11
SCHEMBL8911994 0.85 PLA2G2A (0.38) PLA2G2APLA2G10PLA2G1BPLA2G5KIF11
SCHEMBL10940286 0.84 ALDH1A1 (0.41) PLA2G2APLA2G10PLA2G1BPLA2G5PRSS1
SCHEMBL25764010 0.83 PLA2G2A (0.42) PLA2G2APLA2G10PLA2G1BPLA2G5CSNK1E
SCHEMBL28048301 0.81 PLA2G2A (0.39) PLA2G2APLA2G10PLA2G1BPLA2G5KIF11
SCHEMBL18651709 0.81 KIF11 (0.43) PLA2G2APLA2G10PLA2G1BPLA2G5KIF11

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-4562179-A ANTITUMOR AND ANTICARCINOGENIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-12-31 US disclosed