SCHEMBL6300803

SCHEMBL6300803

NCC(=O)OC(=O)C=Cc1ccco1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.54
POLB P06746 12/20 0.53
L3MBTL1 Q9Y468 5/20 0.53
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 8/20 0.50
APEX1 P27695 3/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
CTDSP1 Q9GZU7 2/20 0.49
RECQL P46063 2/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 1/20 0.49
BLM P54132 1/20 0.49
MCL1 Q07820 1/20 0.49
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL7141082 0.85 HCAR2 (0.67) HCAR2POLBL3MBTL1ALDH1A1TDP1
SCHEMBL7141083 0.85 HCAR2 (0.67) HCAR2POLBL3MBTL1ALDH1A1TDP1
SCHEMBL7141086 0.78 HCAR2 (0.57) HCAR2POLBL3MBTL1ALDH1A1TDP1
SCHEMBL7141927 0.78 L3MBTL1 (0.67) HCAR2POLBL3MBTL1ALDH1A1TDP1
SCHEMBL7142741 0.78 ALDH1A1 (0.67) HCAR2POLBL3MBTL1ALDH1A1TDP1
SCHEMBL7141925 0.78 L3MBTL1 (0.67) HCAR2POLBL3MBTL1ALDH1A1TDP1
SCHEMBL7142739 0.78 ALDH1A1 (0.67) HCAR2POLBL3MBTL1ALDH1A1TDP1
SCHEMBL1408805 0.77 HCAR2 (0.65) HCAR2POLBL3MBTL1ALDH1A1TDP1
SCHEMBL1286940 0.76 POLB (0.67) HCAR2POLBL3MBTL1ALDH1A1TDP1
SCHEMBL1286936 0.76 POLB (0.67) HCAR2POLBL3MBTL1ALDH1A1TDP1

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-6872754-B1 Method for processing elastomers WORTHAM LEON (US) 2005-03-29 US claimed
US-6872754-B1 Method for processing elastomers WORTHAM LEON (US) 2005-03-29 US disclosed