SCHEMBL30078097

SCHEMBL30078097

Cc1c(O)cc(C(=O)O)cc1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 5/20 0.59
TTR P02766 1/20 0.59
CA12 O43570 4/20 0.52
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA7 P43166 4/20 0.52
CA9 Q16790 4/20 0.52
CA14 Q9ULX7 4/20 0.52
CA4 P22748 3/20 0.52
CA6 P23280 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
CA3 P07451 2/20 0.52
CA5A P35218 2/20 0.52
CA5B Q9Y2D0 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
SELL P14151 1/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL24885905 1.00 TPMT (0.59) TPMTTTRCA12CA1CA2
SCHEMBL1071876 0.87 TTR (0.62) TPMTTTRCA12CA1CA2
SCHEMBL1919748 0.84 CA12 (0.64) TPMTTTRCA12CA1CA2
Water SCHEMBL4387068 0.82 CA12 (0.61) TPMTTTRCA12CA1CA2
Water SCHEMBL4387073 0.82 CA12 (0.61) TPMTTTRCA12CA1CA2
SCHEMBL5631374 0.81 TTR (0.56) TPMTTTRCA12CA1CA2
SCHEMBL29710249 0.81 TTR (0.56) TPMTTTRCA12CA1CA2
SCHEMBL27091773 0.79 TTR (0.54) TPMTTTRCA12CA1CA2
SCHEMBL13199302 0.78 CA12 (0.56) TPMTTTRCA12CA1CA2
SCHEMBL29373087 0.78 TTR (0.78) TPMTTTRCA12CA1CA2

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-2023283369-A1 MODULATORS OF PROTEIN KINASES VIBLIOME THERAPEUTICS, LLC (US) 2023-01-12 WO disclosed