SCHEMBL11208696

SCHEMBL11208696

CCCCCc1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.61
CA2 P00918 2/20 0.58
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
MMP13 P45452 2/20 0.50
ALOX5 P09917 1/20 0.49
CALM1 P0DP23 1/20 0.49
THRB P10828 1/20 0.48
MMP8 P22894 1/20 0.47

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
SCHEMBL8420694 0.88 CA2 (0.72) CA2SMN1; SMN2ALDH1A1
SCHEMBL10709036 0.87 CA2 (0.58) CA2SMN1; SMN2ALDH1A1THRB
SCHEMBL8520963 0.86 CA2 (0.70) CA2SMN1; SMN2ALDH1A1
SCHEMBL10414456 0.86 CA2 (0.70) CA2SMN1; SMN2ALDH1A1
SCHEMBL581719 0.86 CASP3 (0.63) GAASMN1; SMN2ALDH1A1CASP3SENP8
SCHEMBL10568997 0.86 CASP3 (0.63) GAASMN1; SMN2ALDH1A1CASP3SENP8
SCHEMBL10533113 0.84 CASP3 (0.61) GAASMN1; SMN2ALDH1A1CASP3SENP8
SCHEMBL10571533 0.84 CASP3 (0.61) GAASMN1; SMN2ALDH1A1CASP3SENP8
SCHEMBL3220040 0.84 CASP3 (0.61) GAASMN1; SMN2ALDH1A1CASP3SENP8
SCHEMBL3220290 0.84 CASP3 (0.61) GAASMN1; SMN2ALDH1A1CASP3SENP8

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-0081321-A1 2-Aminophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1983-06-15 EP disclosed