SCHEMBL31117138

SCHEMBL31117138

O=P(O)(O)Oc1ccccc1SSc1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 10/20 0.47
INPP5A Q14642 5/20 0.47
INPP5B P32019 2/20 0.47
SRC P12931 5/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
PDE3A Q14432 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 1/20 0.42
AKT1 P31749 1/20 0.41
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.32

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
SCHEMBL522291 0.79 INPPL1 (0.59) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL29655758 0.79 INPPL1 (0.59) INPPL1INPP5AINPP5BSRCKDM4E
Ammonia Solution, Strong SCHEMBL11748950 0.77 INPPL1 (0.57) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL28895404 0.77 INPPL1 (0.57) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL9816649 0.77 INPPL1 (0.52) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL2573126 0.74 INPPL1 (0.70) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL3956783 0.74 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10CA1
SCHEMBL842728 0.74 INPPL1 (0.63) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL29434062 0.73 INPPL1 (0.52) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL4636211 0.71 GAA (0.37) SRCKDM4EALDH1A1HPGDHSD17B10

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
CN-118879378-A High-lubricity diesel antiwear agent and preparation method thereof 宜兴市星光宝亿化工有限公司 2024-11-01 CN disclosed