SCHEMBL12201306

SCHEMBL12201306

CCOc1ccc(S(=O)(=O)c2ccc(C(C)CC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
TSHR P16473 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
GAA P10253 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
SQSTM1 Q13501 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
NQO1 P15559 1/20 0.45

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
SCHEMBL25678903 0.86 ALDH1A1 (0.47) ALDH1A1TSHRKMT2AMEN1GAA
SCHEMBL1104233 0.86 ALDH1A1 (0.62) ALDH1A1TSHRKMT2AMEN1TDP1
SCHEMBL12808173 0.85 PKM (0.63) ALDH1A1TSHRGAAMAPTMMP1
SCHEMBL931421 0.84 CA12 (0.70) ALDH1A1TSHRCA12CA1CA2
SCHEMBL12747174 0.84 ALDH1A1 (0.46) ALDH1A1TSHRKMT2AMEN1TDP1
SCHEMBL14411353 0.84 ALDH1A1 (0.46) ALDH1A1TSHRKMT2AMEN1TDP1
SCHEMBL20802909 0.81 ALDH1A1 (0.56) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL19350965 0.80 ALDH1A1 (0.43) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL26507370 0.80 GAA (0.59) ALDH1A1TSHRCA12CA1CA2
SCHEMBL10179993 0.80 HTR6 (0.52) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1

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-1764424-B1 Magnetic substrate, laminate of magnetic substrate and method for producing thereof NAKAGAWA SPECIAL STEEL CO INC (JP) 2011-10-12 EP disclosed