SCHEMBL10712901

SCHEMBL10712901

CC(=O)c1cc(C(C)(C)C)cc(S(C)(=O)=O)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
LMNA P02545 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR5A2 O00482 1/20 0.35
NR5A1 Q13285 1/20 0.35
MAPT P10636 2/20 0.35
NSD2 O96028 1/20 0.35
POLB P06746 1/20 0.35
MCL1 Q07820 1/20 0.35
HPGD P15428 1/20 0.35
ACLY P53396 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
NR1I2 O75469 1/20 0.33

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
SCHEMBL10717505 0.86 AKR1C2 (0.44) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL14764650 0.83 GABRA1 (0.46) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL10807353 0.82 NR1I2 (0.38) ALDH1A1KDM4ELMNASMN1; SMN2NR5A2
SCHEMBL10713139 0.79 KDM4E (0.37) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL11289049 0.79 MEN1 (0.44) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL18646168 0.78 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL10469464 0.78 GABRA1 (0.41) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL11561649 0.77 AKR1C2 (0.47) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL4075760 0.77 NR5A2 (0.55) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL10395320 0.75 HIF1A (0.48) ALDH1A1KDM4EMEN1KMT2ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0135860-B1 DERIVATIVES OF 6-SULFOXYPHENOL, THEIR PREPARATION AND THEIR USE AS CYTOPROTECTORS; USE OF DERIVATIVES OF SALICYLALDEHYDE AS CYTOPROTECTORS HOECHST AKTIENGESELLSCHAFT (DE) 1988-03-02 EP disclosed
US-4661636-A 6-sulfoxyphenol derivatives, their preparation and their use as cytoprotective agents HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-28 US disclosed
EP-0135860-A2 Derivatives of 6-sulfoxyphenol, their preparation and their use as cytoprotectors; use of derivatives of salicylaldehyde as cytoprotectors HOECHST AKTIENGESELLSCHAFT (DE) 1985-04-03 EP disclosed