SCHEMBL6630593

SCHEMBL6630593

O=S(=O)(O)c1ccc2c(O)[c]c(O)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 5/20 0.49
NSD2 O96028 3/20 0.49
DUSP3 P51452 2/20 0.49
PTPN5 P54829 2/20 0.49
PTPN11 Q06124 2/20 0.49
PRMT1 Q99873 1/20 0.45
ALDH1A1 P00352 7/20 0.44
HSD17B10 Q99714 5/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 2/20 0.44
NT5E P21589 2/20 0.41
SNCA P37840 1/20 0.41
CYP1A2 P05177 3/20 0.41
HIF1A Q16665 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 2/20 0.40
PTPRA P18433 1/20 0.40

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
SCHEMBL6633172 0.86 HSD17B10 (0.51) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL2210354 0.85 CASP6 (0.47) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL6631398 0.76 ALDH1A1 (0.47) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL29462031 0.76 CASP6 (0.77) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL465086 0.76 CASP6 (0.77) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL18274858 0.74 CASP6 (0.74) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL565058 0.74 CASP6 (0.74) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL1804579 0.74 CASP6 (0.54) CASP6NSD2DUSP3PTPN5PTPN11
Ammonia Solution, Strong SCHEMBL11667165 0.74 CASP6 (0.74) CASP6NSD2DUSP3PTPN5PTPN11
Potassium SCHEMBL18274860 0.74 CASP6 (0.74) CASP6NSD2DUSP3PTPN5PTPN11

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-20040231558-A1 Has a clear hue, high light fastness and high moisture resistance MITSUI CHEMICALS, INC. (JP) 2004-11-25 US disclosed
EP-1441013-A1 WATERCOLOR INK Mitsui Chemicals, Inc. (JP) 2004-07-28 EP disclosed