SCHEMBL28049802

SCHEMBL28049802

COC(=O)CC(C(=O)OC)S(=O)(=O)O.[NaH].[NaH]

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
CA14 Q9ULX7 7/20 0.38
TSHR P16473 3/20 0.37
CA12 O43570 7/20 0.36
HSD17B10 Q99714 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CA9 Q16790 4/20 0.33
CA7 P43166 3/20 0.33
CA2 P00918 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CA1 P00915 2/20 0.33
PTPRB P23467 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.31
KCNA5 P22460 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
SCHEMBL2794858 1.00 RECQL (0.41) RECQLCA14TSHRCA12HSD17B10
SCHEMBL65752 0.98 RECQL (0.42) RECQLCA14TSHRCA12HSD17B10
SCHEMBL31279097 0.96 RECQL (0.41) RECQLCA14TSHRCA12HSD17B10
SCHEMBL29222495 0.96 RECQL (0.41) RECQLCA14TSHRCA12HSD17B10
SCHEMBL28032185 0.84 RECQL (0.35) RECQLCA14CA12MAPTRAB9A
SCHEMBL18312938 0.84 GAA (0.46) RECQLCA14TSHRCA12HSD17B10
SCHEMBL14619503 0.84 RECQL (0.46) RECQLCA14TSHRCA12HSD17B10
SCHEMBL28910565 0.83 RECQL (0.47) RECQLCA14TSHRCA12GAA
SCHEMBL28910564 0.83 RECQL (0.47) RECQLCA14TSHRCA12CA9
SCHEMBL13978754 0.83 MGAM (0.39) RECQLCA14TSHRCA12HSD17B10

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-103314137-B Corrosion inhibitor RHODIA OPERATIONS (FR) 2016-01-27 CN disclosed