SCHEMBL20124874

SCHEMBL20124874

COC(=O)CC[S+]([O-])C(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.41
KCNA5 P22460 1/20 0.41
AKT1 P31749 1/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RECQL P46063 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL19385885 0.86 CA12 (0.45) CA12CA7CA9CA14ALDH1A1
SCHEMBL19385886 0.86 CA12 (0.45) CA12CA7CA9CA14ALDH1A1
SCHEMBL11446013 0.77 PTGS2 (0.45) ALDH1A1KMT2AMAPTGAASMN1; SMN2
SCHEMBL29131269 0.75 LMNA (0.44) CA12CA7CA9CA14ALDH1A1
SCHEMBL28628216 0.75 ALDH1A1 (0.49) CA12CA7CA9CA14ALDH1A1
SCHEMBL19385941 0.73 KMT2A (0.44) CA12CA7CA9CA14ALDH1A1
SCHEMBL19403436 0.73 KMT2A (0.44) CA12CA7CA9CA14ALDH1A1
SCHEMBL1537276 0.73 KMT2A (0.44) CA12CA7CA9CA14ALDH1A1
SCHEMBL4953295 0.72 CA12 (0.52) CA12CA7CA9CA14ALDH1A1
SCHEMBL490286 0.72 ALDH1A1 (0.50) CA12CA7CA9CA14ALDH1A1

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-3008045-B1 ANTIBACTERIAL THIAZOLECARBOXYLIC ACIDS ANTABIO SAS (FR) 2018-05-09 EP disclosed