SCHEMBL9748757

SCHEMBL9748757

Cc1nc(SCC(=O)O)sc1CCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 2/20 0.44
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
HSD17B10 Q99714 4/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.39
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
APEX1 P27695 1/20 0.38
NOTUM Q6P988 1/20 0.38
POLB P06746 3/20 0.37
RAB9A P51151 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL9749776 0.86 APEX1 (0.44) GAAL3MBTL1HPGDITGB3ITGA2B
SCHEMBL9749629 0.86 ALDH1A1 (0.53) GAAL3MBTL1HPGDHSD17B10ALDH1A1
SCHEMBL9749252 0.84 GAA (0.51) GAAL3MBTL1HPGDHSD17B10ALDH1A1
SCHEMBL13277864 0.78 GAA (0.56) GAAL3MBTL1HPGDHSD17B10ALDH1A1
SCHEMBL10794190 0.76 ITGB3 (0.39) GAAITGB3ITGA2BALDH1A1LMNA
SCHEMBL9748472 0.76 ALDH1A1 (0.54) GAAL3MBTL1HPGDHSD17B10ALDH1A1
SCHEMBL10694025 0.75 APEX1 (0.53) GAAL3MBTL1HPGDHSD17B10ALDH1A1
SCHEMBL10794185 0.75 ITGB3 (0.38) GAAITGB3ITGA2BALDH1A1APEX1
SCHEMBL2213342 0.74 ALDH1A1 (0.52) GAAL3MBTL1HPGDHSD17B10ALDH1A1
Tiprotimod SCHEMBL1684013 0.74 APEX1 (0.44) GAAL3MBTL1HPGDHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0194572-B1 HETEROCYCLIC SULFIDES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-02 EP disclosed
US-4762848-A IMMUNE SYSTEM STIMULANTS, CYTOSTATIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-09 US disclosed
EP-0194572-A1 Heterocyclic sulfides, process for their preparation and Medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1986-09-17 EP disclosed