SCHEMBL4590392

SCHEMBL4590392

CCCC[Si](OCCCO)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.35
SOAT1 P35610 1/20 0.35
PTGS2 P35354 1/20 0.34
TSHR P16473 5/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 2/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 4/20 0.32
LMNA P02545 2/20 0.32
PCSK9 Q8NBP7 1/20 0.32
RECQL P46063 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL4589385 0.95 SOAT1 (0.37) LTA4HSOAT1PTGS2TSHRTDP1
SCHEMBL9296440 0.94 SOAT1 (0.39) LTA4HSOAT1TSHRCYP3A4MAPK1
SCHEMBL11265902 0.87 SOAT1 (0.42) LTA4HSOAT1TSHRCYP3A4MAPK1
SCHEMBL707442 0.86 LTA4H (0.43) LTA4HSOAT1PTGS2TSHRTDP1
SCHEMBL706314 0.86 LTA4H (0.43) LTA4HSOAT1PTGS2TSHRTDP1
SCHEMBL3481385 0.86 LTA4H (0.39) LTA4HSOAT1PTGS2TSHRTDP1
SCHEMBL704016 0.84 LTA4H (0.44) LTA4HSOAT1TSHRTDP1L3MBTL1
SCHEMBL702747 0.83 LTA4H (0.43) LTA4HSOAT1TSHRTDP1L3MBTL1
SCHEMBL9504616 0.82 LTA4H (0.36) LTA4HSOAT1PTGS2TSHRTDP1
SCHEMBL19695522 0.82 SOAT1 (0.32) LTA4HSOAT1PTGS2TSHRTDP1

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
WO-2008080988-A2 CYCLOPENTANONE DERIVATIVES, METHOD OF SYNTHESIS AND USES THEREOF NEUROPHARMA, S.A. (ES) 2008-07-10 WO disclosed