SCHEMBL9766397

SCHEMBL9766397

O=C(O)c1cccc(C(=O)O)c1OS(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
ALOX15 P16050 2/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
MAPK1 P28482 1/20 0.46
TSHR P16473 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
MMP2 P08253 2/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 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
SCHEMBL11651045 0.87 MMP2 (0.50) ALDH1A1ALOX15KDM4EHPGDHSD17B10
SCHEMBL28861367 0.87 ALDH1A1 (0.40) ALDH1A1ALOX15KDM4EHPGDHSD17B10
SCHEMBL28244595 0.87 PRNP (0.42) ALDH1A1ALOX15KDM4EHPGDHSD17B10
SCHEMBL6064531 0.87 ALOX15 (0.42) ALDH1A1ALOX15KDM4EHPGDHSD17B10
SCHEMBL28057527 0.87 ALB (0.50) ALDH1A1ALOX15KDM4EHPGDHSD17B10
Hydrazine SCHEMBL9314976 0.84 F2 (0.41) ALDH1A1ALOX15KDM4EHPGDHSD17B10
SCHEMBL1308246 0.84 ALDH1A1 (0.38) ALDH1A1ALOX15KDM4EHPGDHSD17B10
SCHEMBL28852317 0.83 MRGPRX4 (0.38) ALDH1A1ALOX15KDM4EHPGDHSD17B10
SCHEMBL28776561 0.83 CLCN2 (0.44) ALDH1A1ALOX15KDM4EHPGDHSD17B10
SCHEMBL28161907 0.83 MEN1 (0.46) ALDH1A1ALOX15KDM4EHPGDHSD17B10

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
JP-3193982-A None JP disclosed
JP-H03193982-A DYED CONJUGATE FIBER TORAY IND INC 1991-08-23 JP disclosed