SCHEMBL8812686

SCHEMBL8812686

COc1cc(C(=O)CC(C(N)=O)c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.52
CA1 P00915 10/20 0.50
CA2 P00918 10/20 0.50
CA9 Q16790 10/20 0.50
CA12 O43570 7/20 0.50
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
CA7 P43166 3/20 0.47
CA4 P22748 2/20 0.47
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.44
PTGS2 P35354 1/20 0.44
KAT6A Q92794 1/20 0.43
KDM4E B2RXH2 2/20 0.42
CA14 Q9ULX7 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL8812152 0.85 CA1 (0.45) CA1CA2ALDH1A1TSHRKDM4E
Hydrochloric Acid SCHEMBL8812351 0.84 CA1 (0.44) CA1CA2ALDH1A1TSHRKDM4E
SCHEMBL8545816 0.84 KMT2A (0.46) ALDH1A1LMNATSHRKDM4E
Hydrochloric Acid SCHEMBL8550542 0.83 ALDH1A1 (0.45) ALDH1A1LMNATSHRKDM4E
SCHEMBL8814480 0.81 MAPT (0.55) ALDH1A1LMNAKDM4EMAPT
SCHEMBL8544393 0.79 USP2 (0.57) USP2CA1CA2CA9CA12
SCHEMBL8813396 0.77 MEN1 (0.57) ALDH1A1GAALMNAKDM4EMAPT
SCHEMBL8815168 0.72 TUBB4A (0.45) ALDH1A1LMNAKDM4E
SCHEMBL11518684 0.72 ALDH1A1 (0.48) ALDH1A1LMNAKDM4EMAPT
SCHEMBL8812679 0.71 LMNA (0.67) USP2CA1CA2CA9CA12

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
US-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 US disclosed