SCHEMBL29137787

SCHEMBL29137787

COc1ccccc1OOP(=O)(O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
CA4 P22748 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
SRC P12931 1/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.42
HTT P42858 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
CTSD P07339 1/20 0.42
KMT2A Q03164 1/20 0.42
ENPP2 Q13822 1/20 0.41

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
SCHEMBL31116740 0.83 CA1 (0.56) CA1CA2CA12CA4CA7
SCHEMBL29128787 0.79 L3MBTL1 (0.51) POLBSMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL30770359 0.79 INPPL1 (0.57) CA1CA2CA12CA4CA7
SCHEMBL19808 0.79 INPPL1 (0.57) CA1CA2CA12CA4CA7
SCHEMBL11740599 0.78 INPPL1 (0.55) CA1CA2CA12CA4CA7
SCHEMBL14860951 0.76 ALDH1A1 (0.43) SRCTSHRPOLBSMN1; SMN2HSD17B10
SCHEMBL28777742 0.76 SMN1; SMN2 (0.50) SRCTP53TSHRSMN1; SMN2HSD17B10
SCHEMBL6475298 0.76 INPPL1 (0.39) SRCSMN1; SMN2HSD17B10HTTALDH1A1
SCHEMBL28621325 0.75 CA1 (0.56) CA1CA2CA12CA4CA7
1,2-Dimethoxybenzene SCHEMBL28239483 0.75 CA1 (0.93) CA1CA2CA12CA4CA7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117384695-A Lubricating oil composition for gasoline engine 中国石油化工股份有限公司 2024-01-12 CN claimed
CN-117384696-A Methanol fuel engine lubricating oil composition 中国石油化工股份有限公司 2024-01-12 CN claimed
CN-117384695-A Lubricating oil composition for gasoline engine 中国石油化工股份有限公司 2024-01-12 CN disclosed
CN-117384696-A Methanol fuel engine lubricating oil composition 中国石油化工股份有限公司 2024-01-12 CN disclosed