SCHEMBL9853388

SCHEMBL9853388

Oc1cccc(O)c1SCl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
ALOX15 P16050 6/20 0.45
HPGD P15428 6/20 0.45
HSD17B10 Q99714 6/20 0.45
TDP1 Q9NUW8 4/20 0.45
LMNA P02545 4/20 0.45
CA2 P00918 3/20 0.45
RECQL P46063 3/20 0.45
EGFR P00533 2/20 0.45
FYN P06241 2/20 0.45
MMP9 P14780 2/20 0.45
CA1 P00915 2/20 0.45
ADAMTS4 O75173 1/20 0.45
MMP2 P08253 1/20 0.45
MMP8 P22894 1/20 0.45
CA6 P23280 1/20 0.45
CDK2 P24941 1/20 0.45
MMP12 P39900 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.45
MAPT P10636 4/20 0.42

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
SCHEMBL8020131 0.85 ALOX15 (0.38) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL8888927 0.75 ALDH1A1 (0.50) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL3917019 0.71 ALOX15 (0.45) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL644137 0.71 ALDH1A1 (0.45) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL8531828 0.70 ALDH1A1 (0.33) ALDH1A1ALOX15HPGDHSD17B10CYP3A4
SCHEMBL10887948 0.70 TSHR (0.54) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL7187789 0.69
SCHEMBL3689566 0.67
SCHEMBL24448464 0.67 TSHR (0.50) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL4128904 0.67 CYP1A2 (0.45) ALDH1A1TDP1LMNATSHRCYP1A2

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-0445926-A2 Organic materials having sulfonamido linked poly(oxyalkylene) moieties and their preparation MILLIKEN RESEARCH CORPORATION (US) 1991-09-11 EP disclosed