SCHEMBL9766560

SCHEMBL9766560

O=S(=O)(O)c1cccc(-c2cc(S(=O)(=O)O)ccc2-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PTGS2 P35354 5/20 0.44
HDAC6 Q9UBN7 1/20 0.43
SNCA P37840 1/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
LRRK2 Q5S007 1/20 0.40
IKBKB O14920 1/20 0.40
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD4 O60885 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL5305256 0.93 TSHR (0.52) TSHRSMN1; SMN2TDP1ALDH1A1HSD17B10
SCHEMBL5305260 0.91 TSHR (0.56) TSHRSMN1; SMN2TDP1ALDH1A1HSD17B10
SCHEMBL9766541 0.89 TSHR (0.54) TSHRSMN1; SMN2TDP1ALDH1A1PTGS2
SCHEMBL9766558 0.89 TSHR (0.54) TSHRSMN1; SMN2TDP1ALDH1A1PTGS2
SCHEMBL9766543 0.87 TSHR (0.54) TSHRSMN1; SMN2TDP1ALDH1A1HSD17B10
SCHEMBL5890635 0.83 ALDH1A1 (0.50) TDP1ALDH1A1HSD17B10PTGS2LRRK2
SCHEMBL2311184 0.83 LRRK2 (0.56) TDP1PTGS2LRRK2IKBKBBRD4
SCHEMBL8602839 0.82 ALDH1A1 (0.47) TSHRSMN1; SMN2ALDH1A1PTGS2HDAC6
SCHEMBL6053296 0.82 ALOX5 (0.55) TSHRSMN1; SMN2TDP1ALDH1A1HSD17B10
SCHEMBL11293217 0.81 LMNA (0.48) TSHRSMN1; SMN2TDP1ALDH1A1HSD17B10

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-5008472-A Preparation of 4,4\"-dihydroxyterphenyl BASF AKTIENGESELLSCHAFT (DE) 1991-04-16 US disclosed