SCHEMBL8446501

SCHEMBL8446501

Cc1ccc(S(=O)(=O)O)cc1CCC(O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.36
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 4/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
HTR6 P50406 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 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
SCHEMBL21358780 0.89 TYR (0.41) SNCAALDH1A1HSD17B10LMNAGAA
SCHEMBL10596213 0.86 ALDH1A1 (0.41) SNCAALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL9277018 0.85 LMNA (0.47) SNCAALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL8134017 0.84 TDP1 (0.39) SNCAALDH1A1HSD17B10LMNAGAA
SCHEMBL16684874 0.84 LMNA (0.43) ALDH1A1TSHRSMN1; SMN2LMNAMAPT
SCHEMBL10598218 0.83 SNCA (0.39) SNCAALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL1804750 0.81 SNCA (0.38) SNCAALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL3339141 0.81 FFAR4 (0.40) SNCAALDH1A1HSD17B10TSHRLMNA
SCHEMBL1727437 0.81 SNCA (0.38) SNCAALDH1A1HSD17B10TSHRLMNA
SCHEMBL2337810 0.80 ALDH1A1 (0.38) SNCAALDH1A1HSD17B10TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0942907-A1 2R, 4S, S, R- AND 2S, 4R, S, R-HYDROXYITRACONAZOLE SEPRACOR, INC. (US) 1999-09-22 EP claimed
EP-0938487-A2 2$i(R),4$i(S),$i(R),$i(S)- AND 2$i(S),4$i(R),$i(R),$i(S)-HYDROXYITRACONAZOLE- AND HYDROXYSAPERCONAZOLE DERIVATIVES SEPRACOR, INC. (US) 1999-09-01 EP claimed
EP-0938484-A1 2R,4S,R,R- AND 2S,4R,R,R-HYDROXYITRACONAZOLE SEPRACOR, INC. (US) 1999-09-01 EP claimed
EP-0937071-A1 2R,4S,S,S- AND 2S,4R,S,S-HYDROXYITRACONAZOLE SEPRACOR, INC. (US) 1999-08-25 EP claimed
WO-1998021213-A2 2R,4S,R,S- AND 2S,4R,R,S-HYDROXYITRACONAZOLE- AND HYDROXYSAPERCONAZOLE DERIVATIVES SEPRACOR, INC. (US) 1998-05-22 WO claimed
WO-1998021205-A1 2R,4S,R,R- AND 2S,4R,R,R-HYDROXYITRACONAZOLE SEPRACOR, INC. (US) 1998-05-22 WO claimed
WO-1998021204-A1 2R,4S,S,S- AND 2S,4R,S,S-HYDROXYITRACONAZOLE SEPRACOR, INC. (US) 1998-05-22 WO claimed
WO-1998021203-A1 2R,4S,S,R- AND 2S,4R,S,R-HYDROXYITRACONAZOLE SEPRACOR, INC. (US) 1998-05-22 WO claimed
EP-0938487-A2 2$i(R),4$i(S),$i(R),$i(S)- AND 2$i(S),4$i(R),$i(R),$i(S)-HYDROXYITRACONAZOLE- AND HYDROXYSAPERCONAZOLE DERIVATIVES SEPRACOR, INC. (US) 1999-09-01 EP disclosed
WO-1998021213-A2 2R,4S,R,S- AND 2S,4R,R,S-HYDROXYITRACONAZOLE- AND HYDROXYSAPERCONAZOLE DERIVATIVES SEPRACOR, INC. (US) 1998-05-22 WO disclosed
US-5174927-A Detergent and builders THE PROCTER & GAMBLE COMPANY (US) 1992-12-29 US disclosed