SCHEMBL28479461

SCHEMBL28479461

CCS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CSF1R P07333 1/20 0.43
LPL P06858 8/20 0.41
LIPG Q9Y5X9 8/20 0.41
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
ALPL P05186 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
DGAT1 O75907 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL21177479 0.87 CA2 (0.40) CA1CA2CA9CSF1RLPL
SCHEMBL23585387 0.86 AAK1 (0.40) CA1CA2CA9CSF1RLPL
SCHEMBL1790022 0.86 SMN1; SMN2 (0.51) CA1CA2CA9CSF1RLPL
SCHEMBL32665133 0.84 CA1 (0.44) CA1CA2CA9CSF1RLPL
SCHEMBL14250498 0.84 CA2 (0.51) CA1CA2CA9CSF1RCA12
SCHEMBL25429051 0.84 SMN1; SMN2 (0.56) CA1CA2CA9CSF1RLPL
SCHEMBL15545140 0.82 L3MBTL1 (0.55) CA1CA2CA9CSF1RCA12
SCHEMBL17394139 0.82 CA1 (0.43) CA1CA2CA9CSF1RLPL
SCHEMBL30519309 0.82 L3MBTL1 (0.55) CA1CA2CA9CSF1RCA12
SCHEMBL16015100 0.80 CSF1R (0.43) CA1CA2CA9CSF1RCA12

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-111868063-A PI4KIII beta inhibitors 葛兰素史克知识产权开发有限公司 2020-10-30 CN disclosed