SCHEMBL8962801

SCHEMBL8962801

O=C(O)[C@H](CS)NCc1ccco1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.46
EPHX2 P34913 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ATM Q13315 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL8962795 1.00 L3MBTL1 (0.49) L3MBTL1TDP1POLBAPEX1CTDSP1
SCHEMBL6945061 0.84 L3MBTL1 (0.62) L3MBTL1TDP1POLBAPEX1CTDSP1
SCHEMBL6945066 0.84 L3MBTL1 (0.62) L3MBTL1TDP1POLBAPEX1CTDSP1
SCHEMBL11241002 0.82 L3MBTL1 (0.61) L3MBTL1TDP1POLBAPEX1CTDSP1
SCHEMBL4677601 0.82 TDP1 (0.50) L3MBTL1TDP1POLBAPEX1CTDSP1
SCHEMBL2252337 0.80 POLB (0.48) L3MBTL1TDP1POLBAPEX1CTDSP1
SCHEMBL29860289 0.79 TLR2 (0.46) L3MBTL1TDP1POLBAPEX1CTDSP1
SCHEMBL27624443 0.79 TLR2 (0.46) L3MBTL1TDP1POLBAPEX1CTDSP1
SCHEMBL1356510 0.78 ALDH1A1 (0.54) L3MBTL1TDP1POLBAPEX1CTDSP1
SCHEMBL1356508 0.78 ALDH1A1 (0.54) L3MBTL1TDP1POLBAPEX1CTDSP1

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-5578470-A USING CYSTEINE NEDERLANDSE ORGANISATIE VOOR TOEGEPAST (NL) 1996-11-26 US disclosed