SCHEMBL18531963

SCHEMBL18531963

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

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
PTGS2 P35354 1/20 0.31
THPO P40225 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL2736125 0.86 ALDH1A1 (0.35) ALDH1A1TRPV1MAPTSMN1; SMN2LMNA
SCHEMBL18531992 0.81 ALDH1A1 (0.36) ALDH1A1TRPV1MAPTSMN1; SMN2KDM4E
SCHEMBL18532049 0.80
SCHEMBL2736128 0.78 GAA (0.31) ALDH1A1
SCHEMBL2760081 0.73 ALDH1A1 (0.33) ALDH1A1MAPTSMN1; SMN2KDM4ETHRB
SCHEMBL18531984 0.73 ALDH1A1 (0.31) ALDH1A1TRPV1
SCHEMBL19861658 0.72 TRPV1 (0.38) ALDH1A1TRPV1
SCHEMBL18531937 0.68 ACACB (0.38) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL2760151 0.67 GAA (0.30)
SCHEMBL14435659 0.66 TRPV1 (0.44) ALDH1A1TRPV1MAPTSMN1; SMN2KDM4E

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
US-9575080-B2 2017-02-21 US disclosed