SCHEMBL6550751

SCHEMBL6550751

Nc1ccc(O)c(S(=O)(=O)CO)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 4/20 0.41
ALOX15 P16050 3/20 0.41
CYP3A4 P08684 3/20 0.41
KDM4E B2RXH2 3/20 0.41
CASP1 P29466 3/20 0.41
RECQL P46063 3/20 0.41
THRB P10828 2/20 0.41
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
TNF P01375 1/20 0.41
HSPD1 P10809 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
KDR P35968 1/20 0.41
BRCA1 P38398 1/20 0.41
CASP7 P55210 1/20 0.41
HSPE1 P61604 1/20 0.41

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
SCHEMBL9357049 0.85 CA2 (0.53) ALDH1A1HSD17B10ALOX15CYP3A4KDM4E
SCHEMBL17774548 0.79 L3MBTL1 (0.48) ALDH1A1HSD17B10ALOX15CYP3A4KDM4E
SCHEMBL9367132 0.79 CA1 (0.47) ALDH1A1HSD17B10ALOX15CYP3A4KDM4E
Hydrochloric Acid SCHEMBL18301892 0.78 CA1 (0.45) ALDH1A1HSD17B10ALOX15CYP3A4KDM4E
SCHEMBL177254 0.78 NT5E (0.53) ALDH1A1HSD17B10ALOX15CYP3A4KDM4E
SCHEMBL17774543 0.76 ALOX5 (0.39) ALDH1A1HSD17B10ALOX15CYP3A4KDM4E
SCHEMBL7051361 0.76 L3MBTL1 (0.57) ALDH1A1HSD17B10ALOX15CYP3A4KDM4E
SCHEMBL14576111 0.76 NT5E (0.51) ALDH1A1HSD17B10ALOX15CYP3A4KDM4E
SCHEMBL17774549 0.75 EPHX2 (0.45) ALDH1A1THRBCA2PDE10APRKCI
SCHEMBL14576109 0.74 PTGS1 (0.60) ALDH1A1HSD17B10ALOX15CYP3A4KDM4E

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
EP-1482901-A1 METHOD FOR COLOURING KERATIN FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2004-12-08 EP disclosed
WO-2003053387-A1 METHOD FOR COLOURING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-07-03 WO disclosed