SCHEMBL8911994

SCHEMBL8911994

CCCCCCCCCCCCCCC(C)SCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

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
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PRSS1 P07477 2/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
KIF11 P52732 2/20 0.31
CSNK1E P49674 1/20 0.30
TK1 P04183 1/20 0.30
CTSG P08311 1/20 0.30
CTRB1 P17538 1/20 0.30
CMA1 P23946 1/20 0.30
SIGMAR1 Q99720 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8912437 0.89 PLA2G2A (0.39) PLA2G2APLA2G10PLA2G1BPLA2G5PTGES
SCHEMBL10941734 0.87 ALDH1A1 (0.38) PLA2G2APLA2G10PLA2G1BPLA2G5PTGES
SCHEMBL8911999 0.85 TK1 (0.40) PLA2G2APLA2G10PLA2G1BPLA2G5PTGES
SCHEMBL10933731 0.85 PLA2G2A (0.43) PLA2G2APLA2G10PLA2G1BPLA2G5ALDH1A1
SCHEMBL10796999 0.85 PLA2G2A (0.43) PLA2G2APLA2G10PLA2G1BPLA2G5ALDH1A1
SCHEMBL8638519 0.77 PRKD3 (0.48) PLA2G2APLA2G10PLA2G1BPLA2G5ALDH1A1
SCHEMBL6700873 0.77 PRKD3 (0.48) PLA2G2APLA2G10PLA2G1BPLA2G5ALDH1A1
SCHEMBL10796866 0.76 PLA2G2A (0.44) PLA2G2APLA2G10PLA2G1BPLA2G5ALDH1A1
SCHEMBL10796580 0.76 PLA2G2A (0.44) PLA2G2APLA2G10PLA2G1BPLA2G5ALDH1A1
SCHEMBL8349918 0.73 ALDH1A1 (0.41) PLA2G2APLA2G10PLA2G1BPLA2G5ALDH1A1

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