SCHEMBL9766558

SCHEMBL9766558

O=S(=O)(O)c1ccc(-c2ccc(S(=O)(=O)O)cc2-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PTGS2 P35354 7/20 0.52
POLB P06746 1/20 0.47
CYP2D6 P10635 1/20 0.47
HDAC6 Q9UBN7 1/20 0.45
SNCA P37840 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL9766541 1.00 TSHR (0.54) TSHRSMN1; SMN2PTGS2POLBCYP2D6
SCHEMBL5305256 0.96 TSHR (0.52) TSHRSMN1; SMN2PTGS2POLBCYP2D6
SCHEMBL11293217 0.92 LMNA (0.48) TSHRSMN1; SMN2PTGS2POLBCYP2D6
SCHEMBL9766560 0.89 TSHR (0.50) TSHRSMN1; SMN2PTGS2POLBCYP2D6
SCHEMBL8602839 0.89 ALDH1A1 (0.47) TSHRSMN1; SMN2PTGS2HDAC6CA12
SCHEMBL8597478 0.88 PTGS2 (0.64) TSHRSMN1; SMN2PTGS2POLBCYP2D6
SCHEMBL25616078 0.85 SMN1; SMN2 (0.46) TSHRSMN1; SMN2PTGS2POLBCYP2D6
SCHEMBL25613460 0.85 SMN1; SMN2 (0.46) TSHRSMN1; SMN2PTGS2POLBCYP2D6
SCHEMBL6053296 0.85 ALOX5 (0.55) TSHRSMN1; SMN2PTGS2POLBCYP2D6
SCHEMBL25868039 0.84 TSHR (0.44) TSHRSMN1; SMN2PTGS2POLBCYP2D6

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