SCHEMBL8476172

SCHEMBL8476172

CCCCCCNC(=O)c1ccc(S(=O)(=O)O)o1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.66
TSHR P16473 1/20 0.55
GFER P55789 1/20 0.51
NAAA Q02083 4/20 0.50
HTT P42858 1/20 0.50
CA2 P00918 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MLYCD O95822 1/20 0.45
PKM P14618 1/20 0.44
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL8478721 1.00 HPGD (0.66) HPGDTSHRGFERNAAAHTT
SCHEMBL8474666 0.99 HPGD (0.63) HPGDTSHRGFERNAAAHTT
SCHEMBL8475470 0.96 HPGD (0.59) HPGDTSHRGFERNAAAHTT
SCHEMBL8475238 0.94 HPGD (0.58) HPGDTSHRGFERNAAAHTT
SCHEMBL8472912 0.90 HPGD (0.51) HPGDTSHRGFERHTTL3MBTL1
SCHEMBL8473182 0.88 HPGD (0.61) HPGDTSHRGFERNAAAHTT
SCHEMBL8061332 0.87 HTT (0.53) HPGDTSHRGFERHTTALDH1A1
SCHEMBL30865472 0.86 HPGD (0.79) HPGDTSHRGFERNAAAHTT
SCHEMBL30865420 0.86 HPGD (0.79) HPGDTSHRGFERNAAAHTT
SCHEMBL30865440 0.86 HPGD (0.79) HPGDTSHRGFERNAAAHTT

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