SCHEMBL4193339

SCHEMBL4193339

[CH2]C[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCCOS(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.36
PLA2G10 O15496 1/20 0.36
PLA2G1B P04054 1/20 0.36
PLA2G5 P39877 1/20 0.36
KIF11 P52732 1/20 0.36
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
TK1 P04183 2/20 0.32
DUT P33316 1/20 0.30
TK2 O00142 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
SCHEMBL5699516 0.88 KIF11 (0.36) PLA2G2APLA2G10PLA2G1BPLA2G5KIF11
SCHEMBL3623796 0.88 KIF11 (0.36) PLA2G2APLA2G10PLA2G1BPLA2G5KIF11
SCHEMBL4763266 0.85 DUT (0.40) PLA2G2APLA2G10PLA2G1BPLA2G5KIF11
SCHEMBL5699551 0.85 DUT (0.40) PLA2G2APLA2G10PLA2G1BPLA2G5KIF11
SCHEMBL4762322 0.83 DUT (0.39) PLA2G2APLA2G10PLA2G1BPLA2G5KIF11
SCHEMBL4762320 0.83 DUT (0.39) PLA2G2APLA2G10PLA2G1BPLA2G5KIF11
SCHEMBL8687134 0.82 KIF11 (0.39) PLA2G2APLA2G10PLA2G1BPLA2G5KIF11
SCHEMBL12714267 0.79 KIF11 (0.52) KIF11CYP2C9ALOX15TSHRCYP2C19
SCHEMBL16854613 0.79 PLA2G2A (0.50) PLA2G2APLA2G10PLA2G1BPLA2G5KIF11
SCHEMBL16826862 0.75 CA1 (0.36) 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
EP-1061062-B1 PROCESS FOR PRODUCING BUTANETRIOL DERIVATIVES DAISO CO LTD (JP) 2009-02-18 EP disclosed