SCHEMBL6511963

SCHEMBL6511963

COc1cccc(Sc2cccc(CN(CCC(=O)O)Cc3cccc(C)c3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 3/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
CALM1 P0DP23 1/20 0.46
CAMKK2 Q96RR4 1/20 0.46
HSD17B2 P37059 1/20 0.43
POLB P06746 1/20 0.43
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
EDNRA P25101 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOB P27338 1/20 0.41
EDNRB P24530 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
FFAR1 O14842 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL6510768 0.89 ALDH1A1 (0.43) MEP1BPOLBKDM4EMEN1KMT2A
SCHEMBL6509563 0.85 CALM1 (0.51) MEP1BMTNR1AMTNR1BCALM1CAMKK2
SCHEMBL6509305 0.84 ALDH1A1 (0.38) MEP1BKDM4EMEN1KMT2A
SCHEMBL6511874 0.84 AKR1B1 (0.43) POLBKDM4EKMT2A
SCHEMBL6509513 0.84 SLC6A9 (0.41) MEP1BMEN1KMT2AFFAR1
SCHEMBL6510665 0.83 MEP1B (0.39) MEP1BKDM4EKMT2A
SCHEMBL6508797 0.83 ALDH1A1 (0.42) MEP1BPOLBKDM4EMEN1KMT2A
SCHEMBL6516317 0.83 FFAR4 (0.39) MEP1BKDM4EMEN1KMT2AFFAR1
SCHEMBL6509273 0.82 MEP1B (0.53) MEP1BCALM1CAMKK2HSD17B2POLB
SCHEMBL6515036 0.81 HPGD (0.41) MEP1BKDM4EMEN1KMT2AFFAR1

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
WO-2005097100-A2 ANTIBACTERIAL AGENTS PROLYSIS LTD. (GB) 2005-10-20 WO disclosed