SCHEMBL8375952

SCHEMBL8375952

CCCCC(=O)OC(=O)C(S)CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.42
MAPT P10636 1/20 0.41
LMNA P02545 4/20 0.41
DGKA P23743 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PAM P19021 2/20 0.36
KDM4E B2RXH2 1/20 0.36
DUSP3 P51452 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ENPP2 Q13822 3/20 0.35
TRPV1 Q8NER1 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
SCHEMBL7704462 0.82 TSHR (0.42) MAPTLMNADGKAALDH1A1CYP3A4
SCHEMBL7279318 0.79 MAPT (0.41) MAPTLMNADGKAALDH1A1CYP3A4
SCHEMBL8375947 0.79 RNPEP (0.58) RNPEPMAPTLMNAALDH1A1TSHR
SCHEMBL2116775 0.77 LMNA (0.53) MAPTLMNADGKAALDH1A1CYP3A4
SCHEMBL2131776 0.77 ALDH1A1 (0.47) RNPEPMAPTLMNAALDH1A1TSHR
SCHEMBL7524937 0.76 DGKA (0.52) MAPTLMNADGKAALDH1A1CYP3A4
SCHEMBL7336196 0.76 MAPT (0.52) MAPTLMNADGKAALDH1A1CYP3A4
SCHEMBL9708581 0.74 MAPT (0.46) MAPTLMNADGKAALDH1A1CYP3A4
SCHEMBL27814845 0.74 MAPT (0.48) MAPTLMNADGKAALDH1A1CYP3A4
SCHEMBL2910121 0.73 LMNA (0.50) MAPTLMNADGKAALDH1A1TSHR

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
WO-1999060187-A1 METAL SURFACE TREATMENT AGENTS, METHODS OF TREATING METAL SURFACES AND PRE-COATED STEEL SHEETS DACRAL S.A. (FR) 1999-11-25 WO disclosed