SCHEMBL23396015

SCHEMBL23396015

C=C/C=C(/C)SC(=C)c1cc(O)cc(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
CA7 P43166 3/20 0.43
CA14 Q9ULX7 3/20 0.43
HCAR1 Q9BXC0 3/20 0.41
CA5A P35218 3/20 0.34
CA6 P23280 3/20 0.32
TPMT P51580 2/20 0.31
CA3 P07451 2/20 0.31
CA4 P22748 2/20 0.31
CA5B Q9Y2D0 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
SELL P14151 1/20 0.31
HPGD P15428 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
SCHEMBL23395872 0.90 CA5A (0.47) CA5ALMNAHPGD
SCHEMBL23395956 0.87 PARP1 (0.33) CA5A
SCHEMBL23396193 0.86 CA12 (0.47) CA12CA1CA2CA9CA7
SCHEMBL23395836 0.79
SCHEMBL23395885 0.78 PLA2G2A (0.33) MAPTTDP1
SCHEMBL23395859 0.77 TTR (0.31)
SCHEMBL23396150 0.75 CA5A (0.52) CA12CA1CA2CA9CA7
SCHEMBL23396393 0.75 ALDH5A1 (0.40) CA5AKDM4EALDH1A1TP53MAPT
SCHEMBL23395818 0.73 CA5A (0.31) CA5A
SCHEMBL23395915 0.71 CA12 (0.62) CA12CA1CA2CA9CA7

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
EP-3230281-B1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES BAYER AG (DE) 2021-05-26 EP disclosed