SCHEMBL6509563

SCHEMBL6509563

COc1cccc(Cc2cccc(CN(CCC(=O)O)Cc3cccc(C)c3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.51
CAMKK2 Q96RR4 1/20 0.51
MEP1B Q16820 3/20 0.49
HSD17B2 P37059 1/20 0.48
POLB P06746 2/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
CYP1A2 P05177 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
FFAR1 O14842 1/20 0.43
IDH1 O75874 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
SCHEMBL6510755 0.92 MEP1B (0.56) CALM1CAMKK2MEP1BPOLBMTNR1A
SCHEMBL6512357 0.88 TAS2R14 (0.43) MEP1BPOLBMTNR1AMTNR1BMEN1
SCHEMBL6509273 0.87 MEP1B (0.53) CALM1CAMKK2MEP1BHSD17B2POLB
SCHEMBL6512683 0.85 MEP1B (0.46) MEP1BFFAR1
SCHEMBL6511963 0.85 MEP1B (0.47) CALM1CAMKK2MEP1BHSD17B2POLB
SCHEMBL6515065 0.84 TSHR (0.55) CALM1CAMKK2FFAR1
SCHEMBL6508483 0.83 TSHR (0.45) MEP1BKMT2AKDM4EALDH1A1FFAR1
SCHEMBL6513938 0.83 PKM (0.44) MEP1BMEN1KMT2AMAPTFFAR1
SCHEMBL6519088 0.83 MEN1 (0.51) MEP1BMEN1KMT2ABCHEACHE
SCHEMBL6515110 0.83 HPGD (0.47) MEP1BPOLBMEN1KMT2AKDM4E

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