SCHEMBL9749776

SCHEMBL9749776

Cc1nc(SCCCC(=O)O)sc1CCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.44
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TSHR P16473 3/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
GAA P10253 1/20 0.39
LMNA P02545 4/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CSNK2A2 P19784 2/20 0.37
CSNK2A1 P68400 2/20 0.37
LDHA P00338 1/20 0.37
HTT P42858 2/20 0.36

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
Tiprotimod SCHEMBL1684013 0.88 APEX1 (0.44) APEX1ALDH1A1SMN1; SMN2TSHRHSD17B10
SCHEMBL9748757 0.86 GAA (0.49) APEX1ITGB3ITGA2BALDH1A1SMN1; SMN2
SCHEMBL10690778 0.84 APEX1 (0.42) APEX1ALDH1A1SMN1; SMN2TSHRHSD17B10
SCHEMBL10968557 0.83 APEX1 (0.47) APEX1ALDH1A1SMN1; SMN2TSHRHSD17B10
SCHEMBL10685590 0.82 APEX1 (0.41) APEX1ALDH1A1SMN1; SMN2TSHRHSD17B10
SCHEMBL10685537 0.82 TSHR (0.39) APEX1ALDH1A1SMN1; SMN2TSHRHSD17B10
SCHEMBL9749375 0.80 ALDH1A1 (0.45) APEX1ALDH1A1SMN1; SMN2TSHRHSD17B10
SCHEMBL10694025 0.80 APEX1 (0.53) APEX1ALDH1A1SMN1; SMN2TSHRHSD17B10
SCHEMBL2210099 0.79 ALDH1A1 (0.44) APEX1ALDH1A1SMN1; SMN2TSHRHSD17B10
SCHEMBL10794190 0.78 ITGB3 (0.39) APEX1ITGB3ITGA2BALDH1A1SMN1; SMN2

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
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