SCHEMBL28877418

SCHEMBL28877418

COC(c1cc(O)cc(S(=O)(=O)O)c1O)c1cc(O)cc(S(=O)(=O)O)c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
HSD17B10 Q99714 2/20 0.35
HIF1A Q16665 2/20 0.35
HPGD P15428 1/20 0.35
PGAM1 P18669 1/20 0.35
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CASR P41180 1/20 0.32
NSD2 O96028 1/20 0.31
MMP14 P50281 1/20 0.31
CASP6 P55212 1/20 0.31
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
BLM P54132 1/20 0.30
FABP3 P05413 1/20 0.30
FABP4 P15090 1/20 0.30

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
SCHEMBL28877375 0.89 ALDH1A1 (0.46) LMNAHSD17B10HPGDCASP1CASP7
SCHEMBL28877391 0.84 ALDH1A1 (0.39) LMNAHSD17B10HPGDCASP1CASP7
SCHEMBL28877461 0.77 HSD17B10 (0.36) LMNAHSD17B10HIF1AHPGDPGAM1
SCHEMBL28877445 0.76 HSD17B10 (0.35) LMNAHSD17B10HIF1AHPGDPGAM1
SCHEMBL28957895 0.75 ALDH1A1 (0.39) LMNAHSD17B10HPGDCASP1CASP7
SCHEMBL3235461 0.74 HSD17B10 (0.45) LMNAHSD17B10HIF1AHPGDPGAM1
SCHEMBL28877508 0.74 LMNA (0.36) LMNAHSD17B10HIF1AHPGDALDH1A1
SCHEMBL8009755 0.72 HSD17B10 (0.44) LMNAHSD17B10HIF1AHPGDPGAM1
SCHEMBL3197344 0.72 HSD17B10 (0.44) LMNAHSD17B10HIF1AHPGDPGAM1
SCHEMBL8370442 0.71 TYR (0.47) LMNAHSD17B10HIF1AHPGDPGAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115279730-A 2, 5-or 2, 6-disubstituted hydroquinone derivatives having at least one carboxyl, sulfo or amido group useful as medicaments OM药物公司 2022-11-01 CN claimed