SCHEMBL5145176

SCHEMBL5145176

COC(=O)CCN1C(=O)SC(=Cc2ccc(-c3cc(C(=O)O)ccc3C)o2)C1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 7/20 0.73
KMT2A Q03164 7/20 0.68
POLB P06746 6/20 0.68
TDP1 Q9NUW8 5/20 0.68
MEN1 O00255 5/20 0.68
L3MBTL1 Q9Y468 4/20 0.68
ALDH1A1 P00352 3/20 0.68
MAPT P10636 3/20 0.68
PKM P14618 3/20 0.68
KDM4E B2RXH2 2/20 0.68
APEX1 P27695 2/20 0.68
CTDSP1 Q9GZU7 2/20 0.68
PTGES O14684 1/20 0.68
BLM P54132 3/20 0.67
ESR1 P03372 1/20 0.67
HPGD P15428 1/20 0.67
DNMT1 P26358 1/20 0.67
RECQL P46063 1/20 0.67
MCL1 Q07820 1/20 0.67
LCK P06239 1/20 0.67

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
SCHEMBL5145237 0.85 SLC1A3 (1.00) SLC1A3KMT2APOLBTDP1MEN1
SCHEMBL5145242 0.85 SLC1A3 (1.00) SLC1A3KMT2APOLBTDP1MEN1
SCHEMBL6397420 0.85 SLC1A3 (0.79) SLC1A3KMT2APOLBTDP1MEN1
SCHEMBL6397417 0.85 SLC1A3 (0.79) SLC1A3KMT2APOLBTDP1MEN1
SCHEMBL29361837 0.83 POLB (0.88) SLC1A3KMT2APOLBTDP1MEN1
SCHEMBL14426456 0.80 LCK (1.00) SLC1A3KMT2APOLBTDP1MEN1
SCHEMBL6395526 0.80 KMT2A (0.88) SLC1A3KMT2APOLBTDP1MEN1
SCHEMBL5145169 0.80 KMT2A (0.88) SLC1A3KMT2APOLBTDP1MEN1
SCHEMBL5147456 0.79 SLC1A3 (0.88) SLC1A3KMT2APOLBTDP1MEN1
SCHEMBL46577 0.79 SLC1A3 (0.88) SLC1A3KMT2APOLBTDP1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718308-A4 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORP (CA) 2007-07-18 EP disclosed
EP-1718308-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PainCeptor Pharma Corp. (CA) 2006-11-08 EP disclosed
WO-2005076695-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2005-08-25 WO disclosed