SCHEMBL31312973

SCHEMBL31312973

COc1cc(B2OC(C)(C)C(C)(C)O2)cc(OC(F)F)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
STING1 Q86WV6 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HTT P42858 1/20 0.34
CSF1R P07333 1/20 0.34
F2 P00734 1/20 0.33
F11 P03951 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
LIPG Q9Y5X9 2/20 0.32
P4HB P07237 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
LPL P06858 1/20 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
SCHEMBL20562111 0.89 CA1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL22726537 0.89 NR1I2 (0.37) STING1KDM4EHTTCSF1RNPC1
SCHEMBL22726979 0.84 POLB (0.33) CA1CA2CA9STING1CSF1R
SCHEMBL22726542 0.84 AAK1 (0.37) STING1CSF1RF2F11PRSS1
SCHEMBL23162244 0.83 SIK1 (0.42) CA1CA2CA9STING1HTT
SCHEMBL31312971 0.83 SIK1 (0.31)
SCHEMBL27452322 0.82 CSF1R (0.37) CA1CA2CA9STING1CSF1R
SCHEMBL21591205 0.82 SIK1 (0.46) CSF1RRAB9AMEN1KMT2A
SCHEMBL22408194 0.81 CSF1R (0.39) CA12CA1CA2CA7CA9
SCHEMBL22408219 0.80 AAK1 (0.37) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024242169-A1 SALT-INDUCIBLE KINASE INHIBITORY COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 田辺三菱製薬株式会社 2024-11-28 WO disclosed