SCHEMBL6509273

SCHEMBL6509273

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 4/20 0.53
FFAR1 O14842 3/20 0.52
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MMP13 P45452 1/20 0.47
CALM1 P0DP23 1/20 0.47
CAMKK2 Q96RR4 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PTGES O14684 1/20 0.46
MEP1A Q16819 1/20 0.45
HSD17B2 P37059 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
NR1H3 Q13133 1/20 0.45
LPAR1 Q92633 1/20 0.44
LPAR5 Q9H1C0 1/20 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
SCHEMBL6511831 0.93 FFAR1 (0.57) MEP1BFFAR1TSHRHSD17B10HTT
SCHEMBL6515065 0.93 TSHR (0.55) FFAR1TSHRHSD17B10CALM1CAMKK2
SCHEMBL6515378 0.90 FFAR1 (0.52) MEP1BFFAR1TSHRHSD17B10PTGES
SCHEMBL6528810 0.88 FFAR1 (0.49) MEP1BFFAR1TSHRHSD17B10PTGES
SCHEMBL6511196 0.88 MEP1B (0.53) MEP1BFFAR1TSHRHSD17B10KDM4E
SCHEMBL6509563 0.87 CALM1 (0.51) MEP1BFFAR1KDM4EALDH1A1CALM1
SCHEMBL6510755 0.86 MEP1B (0.56) MEP1BFFAR1KDM4EALDH1A1HTT
SCHEMBL6507836 0.86 FFAR1 (0.49) MEP1BFFAR1TSHRHSD17B10KDM4E
SCHEMBL6510191 0.86 FFAR1 (0.52) FFAR1TSHRHSD17B10KDM4EALDH1A1
SCHEMBL6511963 0.82 MEP1B (0.47) MEP1BFFAR1KDM4ECALM1CAMKK2

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