SCHEMBL7974618

SCHEMBL7974618

Cc1cc(C(=O)O)c(C)c2c1S(=O)(=O)CCC2O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 1/20 0.32
GAA P10253 2/20 0.32
HSD17B10 Q99714 2/20 0.32
NOTUM Q6P988 2/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 1/20 0.31
SPR P35270 1/20 0.31
CA2 P00918 4/20 0.31

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
SCHEMBL6725280 0.86 SPR (0.33) ABCC1GAAHSD17B10NOTUMMAPT
SCHEMBL6723909 0.82 NOTUM (0.31) ABCC1NOTUMMAPT
SCHEMBL8900556 0.82 ABCC1 (0.30) ABCC1NOTUMMAPT
SCHEMBL8129913 0.80 ABCC1 (0.32) ABCC1HSD17B10MAPTKDM4EHPGD
SCHEMBL9004023 0.79
SCHEMBL8402382 0.76
SCHEMBL8900199 0.76 GAA (0.30) GAA
SCHEMBL6725615 0.75 VEGFA (0.39) GAAHSD17B10CA2
SCHEMBL6772501 0.73 KDM4E (0.35) ABCC1GAAHSD17B10NOTUMMAPT
SCHEMBL6725568 0.70 CYP4F2 (0.37) GAAMAPTKMT2ATDP1CA2

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-6297196-B1 HETEROCYCLIC COMPOUNDS WITH KETONE GROUPS AND OXIMES, PHOSPHONATES OR PHOSPHATES HOECHST SCHERING AGREVO GMBH (DE) 2001-10-02 US disclosed