SCHEMBL6511196

SCHEMBL6511196

COc1ccc(Oc2cccc(CN(CCC(=O)O)Cc3cccc(F)c3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 4/20 0.53
NR3C1 P04150 1/20 0.51
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CALM1 P0DP23 1/20 0.46
CAMKK2 Q96RR4 1/20 0.46
PTGES O14684 1/20 0.46
CETP P11597 2/20 0.44
CLK1 P49759 1/20 0.44
CLK2 P49760 1/20 0.44
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
MEP1A Q16819 1/20 0.44
LPAR1 Q92633 3/20 0.44
LPAR5 Q9H1C0 3/20 0.44

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
SCHEMBL6519131 0.92 NR3C1 (0.55) NR3C1TSHRHSD17B10PTGESCETP
SCHEMBL6515353 0.89 NR3C1 (0.60) MEP1BNR3C1TSHRHSD17B10PTGES
SCHEMBL6509273 0.88 MEP1B (0.53) MEP1BTSHRHSD17B10KDM4EALDH1A1
SCHEMBL6511831 0.81 FFAR1 (0.57) MEP1BNR3C1TSHRHSD17B10HTT
SCHEMBL6515065 0.80 TSHR (0.55) NR3C1TSHRHSD17B10CALM1CAMKK2
SCHEMBL6512693 0.79 TSHR (0.49) NR3C1TSHRHSD17B10PTGESCETP
SCHEMBL6515378 0.77 FFAR1 (0.52) MEP1BNR3C1TSHRHSD17B10PTGES
SCHEMBL6511147 0.77 TSHR (0.47) NR3C1TSHRHSD17B10PTGESCETP
SCHEMBL27200631 0.76 MEP1B (0.60) MEP1BTSHRKDM4EALDH1A1HTT
SCHEMBL6528810 0.76 FFAR1 (0.49) MEP1BNR3C1TSHRHSD17B10PTGES

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