SCHEMBL9749161

SCHEMBL9749161

Cc1[c]sc(SCCCCCC(=O)O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.39
PTK2 Q05397 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 1/20 0.38
LTB4R Q15722 1/20 0.38
PTGS2 P35354 1/20 0.37
TSHR P16473 5/20 0.35
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.35
PMP22 Q01453 1/20 0.35
PPARG P37231 6/20 0.34
PPARD Q03181 6/20 0.34
PPARA Q07869 6/20 0.34
GPR84 Q9NQS5 5/20 0.34

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
SCHEMBL9749643 0.98 APEX1 (0.40) APEX1PTK2HDAC2HDAC3HDAC1
SCHEMBL9749437 0.94 APEX1 (0.41) APEX1PTK2HDAC2HDAC3HDAC1
SCHEMBL9748936 0.88 APEX1 (0.51) APEX1ALDH1A1HSD17B10GAATSHR
SCHEMBL10685590 0.72 APEX1 (0.41) APEX1PTK2HDAC2HDAC3HDAC1
SCHEMBL9749606 0.72 ALDH1A1 (0.44) APEX1PTK2HDAC2HDAC3HDAC1
SCHEMBL10690778 0.71 APEX1 (0.42) APEX1PTK2HDAC2HDAC3HDAC1
SCHEMBL10968557 0.69 APEX1 (0.47) APEX1ALDH1A1HSD17B10GAATSHR
SCHEMBL3455482 0.69 ALDH1A1 (0.52) APEX1ALDH1A1HSD17B10TSHRLMNA
SCHEMBL4444196 0.67 APEX1 (0.57) APEX1PTK2HDAC2HDAC3HDAC1
SCHEMBL9749375 0.67 ALDH1A1 (0.45) APEX1ALDH1A1HSD17B10GAATSHR

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
EP-0194572-B1 HETEROCYCLIC SULFIDES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-02 EP disclosed