SCHEMBL8911999

SCHEMBL8911999

CCCCCCCCCCCCCCC(C)SCC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TK1 P04183 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
CSNK1E P49674 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PLA2G4B P0C869 1/20 0.35
CTSK P43235 3/20 0.35
PRSS1 P07477 2/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
PPARG P37231 1/20 0.34
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33
CMA1 P23946 1/20 0.33
KIF11 P52732 1/20 0.33
LMNA P02545 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
SCHEMBL8911994 0.85 PLA2G2A (0.38) TK1PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL9051162 0.85 TK1 (0.48) TK1PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL10928636 0.85 TK1 (0.48) TK1PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL29193122 0.85 TK1 (0.48) TK1PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL10796162 0.85 TK1 (0.48) TK1PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL12978112 0.85 TK1 (0.48) TK1PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL10802141 0.85 TK1 (0.48) TK1PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL12978102 0.85 TK1 (0.48) TK1PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL8734284 0.85 TK1 (0.48) TK1PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL29193123 0.85 TK1 (0.48) TK1PLA2G2APLA2G10PLA2G1BPLA2G5

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-5614548-A TREATING TUMORS AND HIV INFECTION, PROTEIN KINASE C INHIBITORS WAKE FOREST UNIVERSITY (US) 1997-03-25 US disclosed