SCHEMBL30929945

SCHEMBL30929945

O=C(O)c1ccc(OB(O)O)c(F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.64
HTT P42858 2/20 0.64
LMNA P02545 2/20 0.64
MAPK1 P28482 1/20 0.64
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
TPMT P51580 1/20 0.46
TSHR P16473 3/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MRGPRX4 Q96LA9 4/20 0.41
TTR P02766 2/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL31733918 0.84 RAB9A (0.49) RAB9AHTTLMNAMAPK1GAA
SCHEMBL28078717 0.81 LMNA (0.50) RAB9AHTTLMNAMAPK1CA12
SCHEMBL17346271 0.79 RAB9A (0.70) RAB9AHTTLMNAMAPK1CA12
SCHEMBL7979582 0.79 CA12 (0.50) RAB9AHTTLMNAMAPK1CA12
SCHEMBL31618437 0.79 TSHR (0.55) RAB9AHTTLMNAMAPK1CA12
SCHEMBL30147507 0.79 RAB9A (0.64) RAB9AHTTLMNAMAPK1CA12
SCHEMBL12490198 0.79 RAB9A (0.64) RAB9AHTTLMNAMAPK1CA12
SCHEMBL503994 0.78 HTT (1.00) RAB9AHTTLMNAMAPK1CA12
SCHEMBL31493230 0.78 HTT (1.00) RAB9AHTTLMNAMAPK1CA12
SCHEMBL30485947 0.78 CA12 (0.50) RAB9AHTTLMNAMAPK1CA12

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-118121530-A Three-section type microneedle patch for long-acting blood sugar self-regulation and control and preparation method thereof 浙江大学 2024-06-04 CN disclosed