SCHEMBL9850308

SCHEMBL9850308

CC(C)c1cccc(S(=O)(=O)O)c1.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
CA2 P00918 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MDM4 O15151 1/20 0.47
CA1 P00915 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
TYR P14679 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
CA5A P35218 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL11801670 0.98 ALDH1A1 (0.52) ALDH1A1TSHRTDP1HSD17B10SMN1; SMN2
SCHEMBL28125186 0.96 ALDH1A1 (0.50) ALDH1A1TSHRTDP1HSD17B10SMN1; SMN2
SCHEMBL21726602 0.86 ALDH1A1 (0.52) ALDH1A1TSHRTDP1HSD17B10SMN1; SMN2
SCHEMBL28747870 0.83 ALDH1A1 (0.48) ALDH1A1TSHRTDP1HSD17B10SMN1; SMN2
SCHEMBL4810210 0.82 ALDH1A1 (0.52) ALDH1A1TSHRTDP1HSD17B10SMN1; SMN2
SCHEMBL28584804 0.82 TSHR (0.52) ALDH1A1TSHRTDP1HSD17B10SMN1; SMN2
SCHEMBL11300578 0.82 SMN1; SMN2 (0.52) ALDH1A1TSHRTDP1SMN1; SMN2CA2
SCHEMBL13898676 0.81 HDAC4 (0.56) ALDH1A1TSHRTDP1HSD17B10SMN1; SMN2
SCHEMBL21726592 0.80 ALDH1A1 (0.53) ALDH1A1TSHRTDP1HSD17B10SMN1; SMN2
SCHEMBL84445 0.80 ALDH1A1 (0.47) ALDH1A1TDP1SMN1; SMN2CA2HDAC4

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-0421660-A2 Improvements to electrical cells Ever Ready Limited (GB) 1991-04-10 EP disclosed