SCHEMBL6764353

SCHEMBL6764353

OP(O)(=S)C1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MGLL Q99685 1/20 0.32
MMP2 P08253 3/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
FDPS P14324 1/20 0.31
MMP8 P22894 1/20 0.31
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
TSHR P16473 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
SCHEMBL5566784 0.81 GLA (0.32) GLAALDH1A1TP53CYP3A4MGLL
Hydrochloric Acid SCHEMBL10627794 0.79 GLA (0.31) GLAALDH1A1TP53CYP3A4MGLL
SCHEMBL3072309 0.77 GLA (0.34) GLACA12CA1CA2CA9
SCHEMBL4922920 0.75 GLA (0.32) GLA
SCHEMBL3058551 0.75 GLA (0.33) GLAALDH1A1TP53CYP3A4MMP2
SCHEMBL3080358 0.75 GLA (0.33) GLACA12CA1CA2CA9
SCHEMBL1271549 0.73 GLA (0.35) GLAALDH1A1CYP3A4
SCHEMBL7074068 0.71 MGLL (0.31) MGLL
SCHEMBL6682753 0.71 FDPS (0.33) FDPS
SCHEMBL7074371 0.69 ALDH1A1 (0.30) ALDH1A1TP53CYP3A4MGLL

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-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed