SCHEMBL11732508

SCHEMBL11732508

CC(=O)NC(CC=S)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 1/20 0.57
THRB P10828 1/20 0.57
ALOX15 P16050 1/20 0.57
NFKB1 P19838 1/20 0.57
PTGS2 P35354 1/20 0.57
THPO P40225 1/20 0.57
RECQL P46063 1/20 0.57
BLM P54132 1/20 0.57
ALDH1A1 P00352 3/20 0.55
GNPAT O15228 1/20 0.39
TGFBR1 P36897 2/20 0.38
FOLH1 Q04609 2/20 0.36
NAALAD2 Q9Y3Q0 2/20 0.36
LMNA P02545 2/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 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
SCHEMBL11984630 0.83 MAPT (0.57) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL711942 0.81 MAPT (0.55) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL15497996 0.81 MAPT (0.55) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL13465715 0.81 MAPT (0.55) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL713231 0.81 MAPT (0.55) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL4611563 0.79 MAPT (0.53) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL7421944 0.79 MAPT (0.53) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL714056 0.79 MAPT (0.53) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL12064024 0.79 MAPT (0.53) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL12064254 0.79 MAPT (0.53) MAPTSMN1; SMN2KDM4ETHRBALOX15

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
US-4017530-A ANALGESIC, ANTICHOLESTEROL, ANTILIPEMIC BLUM JEAN 1977-04-12 US claimed
US-4017530-A ANALGESIC, ANTICHOLESTEROL, ANTILIPEMIC BLUM JEAN 1977-04-12 US disclosed