SCHEMBL9756727

SCHEMBL9756727

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.65
ALDH1A1 P00352 6/20 0.65
KDM4E B2RXH2 2/20 0.65
HPGD P15428 2/20 0.65
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PHLPP2 Q6ZVD8 2/20 0.46
ING2 Q9H160 1/20 0.44
CYP2D6 P10635 1/20 0.44
SELL P14151 2/20 0.42
SELP P16109 2/20 0.42
NT5E P21589 2/20 0.42
CYP2C9 P11712 2/20 0.41
MCL1 Q07820 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
SCHEMBL9756732 0.98 HSD17B10 (0.62) HSD17B10ALDH1A1KDM4EHPGDLCK
SCHEMBL7827859 0.82 HSD17B10 (0.56) HSD17B10ALDH1A1KDM4EHPGDLCK
SCHEMBL4961094 0.82 HSD17B10 (0.66) HSD17B10ALDH1A1KDM4EHPGDLCK
SCHEMBL1593800 0.82 ALDH1A1 (0.72) HSD17B10ALDH1A1KDM4EHPGDLCK
SCHEMBL11343478 0.81 PHLPP2 (0.63) HSD17B10ALDH1A1KDM4EHPGDLCK
SCHEMBL669108 0.80 ING2 (0.56) HSD17B10ALDH1A1KDM4EHPGDLCK
Sulfosalicylic SCHEMBL29364125 0.80 ALDH1A1 (0.96) HSD17B10ALDH1A1KDM4EHPGDTDP1
Sulfosalicylic SCHEMBL34766 0.80 ALDH1A1 (0.96) HSD17B10ALDH1A1KDM4EHPGDTDP1
SCHEMBL7226894 0.80 ALDH1A1 (0.70) HSD17B10ALDH1A1KDM4EHPGDLCK
Sulfosalicylic SCHEMBL6717073 0.80 ALDH1A1 (0.96) HSD17B10ALDH1A1KDM4EHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0438752-A1 Monobactam hydrazides containing catechol sulfonic acid groups E.R. SQUIBB & SONS, INC. (US) 1991-07-31 EP claimed
US-5030724-A Monobactam hydrazides containing catechol sulfonic acid groups E. R. SQUIBB & SONS, INC. (US) 1991-07-09 US claimed
US-5077432-A Monobactam hydrazides containing catechol sulfonic acid groups E. R. SQUIBB & SONS, INC. (US) 1991-12-31 US disclosed
EP-0438752-A1 Monobactam hydrazides containing catechol sulfonic acid groups E.R. SQUIBB & SONS, INC. (US) 1991-07-31 EP disclosed
US-5030724-A Monobactam hydrazides containing catechol sulfonic acid groups E. R. SQUIBB & SONS, INC. (US) 1991-07-09 US disclosed
US-5017569-A Cephalosporin derivatives ICI PHARMA (FR) 1991-05-21 US disclosed
EP-0267733-A2 Cephalosporin compounds, process for their preparation and pharmaceutical compositions containing them ZENECA Pharma S.A. (FR) 1988-05-18 EP disclosed