SCHEMBL9511076

SCHEMBL9511076

Cc1cccc(S(=O)(=O)N(CCO)CCO)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 3/20 0.41
TRPA1 O75762 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.36
ESR1 P03372 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 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
SCHEMBL10597185 0.87 ALDH1A1 (0.43) MEN1KMT2AALDH1A1TRPA1GABRA1
SCHEMBL6062172 0.86 TSHR (0.49) SMN1; SMN2MEN1KMT2AALDH1A1ESR1
SCHEMBL9683547 0.85 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AALDH1A1TP53
SCHEMBL10597180 0.79 ALDH1A1 (0.42) ALDH1A1TRPA1GABRA1GABRB2TP53
SCHEMBL13227333 0.78 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1TRPA1GABRA1GABRB2
SCHEMBL3907809 0.74 ALDH1A1 (0.45) SMN1; SMN2MEN1KMT2AALDH1A1TP53
SCHEMBL16289972 0.73 ALDH1A1 (0.43) SMN1; SMN2MEN1KMT2AALDH1A1TRPA1
SCHEMBL16289943 0.73 KMT2A (0.40) MEN1KMT2AALDH1A1TRPA1GABRA1
SCHEMBL20930300 0.71 GAA (0.48) SMN1; SMN2MEN1KMT2AGAANPC1
SCHEMBL15915823 0.71 L3MBTL1 (0.54) SMN1; SMN2MEN1KMT2AGAANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0304886-B1 Oligomer benzil ketals and their use as photoinitiators CIBA GEIGY AG (CH) 1993-12-08 EP disclosed
EP-0304886-A2 Oligomer benzil ketals and their use as photoinitiators CIBA-GEIGY AG (CH) 1989-03-01 EP disclosed