SCHEMBL9768733

SCHEMBL9768733

O=Cc1cc(S(=O)(=O)O)cc(O)c1O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ING2 Q9H160 1/20 0.44
▸ ERN1 O75460 7/20 0.42
▸ NT5E P21589 2/20 0.42
▸ PLCG1 P19174 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ NSD2 O96028 2/20 0.40
▸ CASP6 P55212 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ DNMT1 P26358 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PIM1 P11309 1/20 0.39
▸ DUSP3 P51452 1/20 0.39
▸ PTPN5 P54829 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL669108 0.80 ING2 (0.56) ING2NT5EPLCG1ALDH1A1HSD17B10
SCHEMBL7842642 0.80 ALDH1A1 (0.55) ERN1PLCG1ALDH1A1HSD17B10KDM4E
SCHEMBL29949354 0.80 ALDH1A1 (0.55) ERN1PLCG1ALDH1A1HSD17B10KDM4E
SCHEMBL5728774 0.78 ALDH1A1 (0.53) ERN1PLCG1ALDH1A1HSD17B10KDM4E
SCHEMBL9149620 0.78 ALDH1A1 (0.53) ERN1PLCG1ALDH1A1HSD17B10KDM4E
SCHEMBL31696807 0.75 ALDH1A1 (0.44) ERN1NT5EPLCG1ALDH1A1HSD17B10
SCHEMBL28565819 0.73 ALDH1A1 (0.42) ERN1NT5EPLCG1ALDH1A1HSD17B10
SCHEMBL9242875 0.72 ING2 (0.48) ING2NT5EPLCG1ALDH1A1HSD17B10
SCHEMBL772208 0.72 ING2 (0.48) ING2NT5EPLCG1ALDH1A1HSD17B10
SCHEMBL30057851 0.72 ING2 (0.48) ING2NT5EPLCG1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012106534-A2 HIV INTEGRASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-08-09 — — WO disclosed
US-5071729-A Discoloration inhibitor releasing compound FUJI PHOTO FILM CO., LTD. (JP) 1991-12-10 — — US disclosed
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