SCHEMBL8475504

SCHEMBL8475504

CC(C)(C)NC(=O)c1ccc(S(=O)(=O)O)o1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.41
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
TSHR P16473 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1487258 0.85 ALDH1A1 (0.59) ALDH1A1LMNAHTTKMT2ASMN1; SMN2
SCHEMBL8471876 0.84 ALDH1A1 (0.41) ALDH1A1LMNAHTTKMT2ASMN1; SMN2
SCHEMBL8472856 0.83 POLB (0.48) ALDH1A1LMNAHTTKMT2ASMN1; SMN2
SCHEMBL8066284 0.81 ALDH1A1 (0.45) ALDH1A1HTTCA1CA2TSHR
SCHEMBL8067867 0.77 POLB (0.49) ALDH1A1LMNAHTTKMT2ASMN1; SMN2
SCHEMBL8066264 0.77 MAPK1 (0.47) ALDH1A1LMNAHTTKMT2ACA1
SCHEMBL8471904 0.75 POLB (0.48) ALDH1A1LMNAHTTKMT2ASMN1; SMN2
SCHEMBL9282506 0.75 KLK7 (0.59) ALDH1A1LMNAHTTSMN1; SMN2TSHR
SCHEMBL7663551 0.74 ALDH1A1 (0.44) ALDH1A1LMNAHTTKMT2ASMN1; SMN2
SCHEMBL8472289 0.74 ALDH1A1 (0.48) ALDH1A1HTTKMT2ACA1CA2

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
US-5994396-A Furansulfonic acid derivatives and pharmaceutical compositions containing the same CENTAUR PHARMACEUTICALS, INC. (US) 1999-11-30 US disclosed