SCHEMBL30298635

SCHEMBL30298635

O=C1OCCCOC(=O)c2cc1cc(S(=O)(=O)O)c2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ING2 Q9H160 1/20 0.37
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
PGR P06401 2/20 0.33
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PKM P14618 1/20 0.31
PKLR P30613 1/20 0.31
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30
RAB9A P51151 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
SCHEMBL7784537 0.96 ING2 (0.37) ING2TSHRSMN1; SMN2LCKFYN
SCHEMBL7909485 0.92 ING2 (0.39) ING2TSHRSMN1; SMN2LCKFYN
SCHEMBL11643499 0.92 ING2 (0.39) ING2TSHRSMN1; SMN2LCKFYN
SCHEMBL5370947 0.83 ALDH1A1 (0.35) TSHRPGRALDH1A1TDP1
SCHEMBL28880053 0.82 ALDH1A1 (0.32) ALDH1A1
SCHEMBL14967792 0.81 ESR1 (0.38) SMN1; SMN2PGRALDH1A1
SCHEMBL5140582 0.77 ING2 (0.34) ING2TSHRSMN1; SMN2LCKFYN
SCHEMBL29833169 0.74 FAAH (0.33) ALDH1A1PKMPKLRCA1CA9
SCHEMBL29684239 0.72 IDH2 (0.35) PGRCA1CA9
SCHEMBL7909476 0.72 DUSP5 (0.40) TSHRTDP1PKMPKLRRAB9A

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-113195637-B Release coating composition and articles made therefrom 3M创新有限公司 2023-07-25 CN claimed
CN-107526256-B Toner compositions with anti-plasticizers 施乐公司 2023-04-07 CN disclosed