SCHEMBL28034085

SCHEMBL28034085

COC(=O)c1cc(C(=O)O)c(S)cc1S

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40
KDM4E B2RXH2 5/20 0.39
TSHR P16473 4/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 5/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 3/20 0.38
HSD17B10 Q99714 3/20 0.38
ATM Q13315 2/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38

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
SCHEMBL28759908 0.85 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL829544 0.81 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL25515986 0.81 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL29869709 0.81 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL337450 0.81 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL10616295 0.81 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL828778 0.81 CA12 (0.47) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL6380287 0.79 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL10431622 0.78 MAPT (0.42) CA12CA1CA2CA7CA9
SCHEMBL20928964 0.77 KDM4E (0.47) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104144963-B There is the reactive epoxy resin being derived from biology of improvement 蒙彼利埃第二大学 2016-10-26 CN disclosed
CN-104981497-A Epoxy resins crosslinkable at room temperature UNIV MONTPELLIER 2015-10-14 CN disclosed