SCHEMBL5355960

SCHEMBL5355960

CCOC(=O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(O)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ ALDH1A1 P00352 5/20 0.47
▸ LMNA P02545 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ HTT P42858 2/20 0.39
▸ PTPN1 P18031 2/20 0.38
▸ PTPN6 P29350 2/20 0.38
▸ PTPN11 Q06124 2/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36
▸ APBA1 Q02410 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL5360577 0.81 PDE5A (0.38) SMN1; SMN2ALDH1A1LMNAKDM4ETSHR
SCHEMBL8386526 0.70 MAPT (0.72) ALDH1A1LMNAPTPN1PTPN6PTPN11
SCHEMBL11292601 0.68 KMT2A (0.64) SMN1; SMN2ALDH1A1LMNAHTTTSHR
SCHEMBL1823370 0.67 KMT2A (0.62) SMN1; SMN2ALDH1A1LMNAHTTTSHR
SCHEMBL9324636 0.66 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1LMNAHTTPTPN1
SCHEMBL10405696 0.66 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1LMNAHTTPTPN1
SCHEMBL23718278 0.65 ALDH1A1 (0.75) SMN1; SMN2ALDH1A1LMNAHTTTSHR
SCHEMBL6728136 0.64 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1L3MBTL1HTTKDM4E
SCHEMBL5392841 0.64 LMNA (0.46) ALDH1A1LMNAL3MBTL1CYP2C9MEN1
SCHEMBL5392843 0.64 LMNA (0.46) ALDH1A1LMNAL3MBTL1CYP2C9MEN1

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
US-7306632-B2 Leave-in color conditioner HAIRMARKER LLC (US) 2007-12-11 — — US disclosed
US-20050198746-A1 Leave-in color conditioner HAIRMARKER LLC 2005-09-15 — — US disclosed
Send feedback