SCHEMBL6510191

SCHEMBL6510191

Cc1cccc(CN(CCC(=O)O)Cc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.52
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CETP P11597 1/20 0.44
NR3C1 P04150 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
SCHEMBL6511831 0.88 FFAR1 (0.57) FFAR1FAAHHTTTSHRHSD17B10
SCHEMBL6515065 0.88 TSHR (0.55) FFAR1TSHRHSD17B10NR3C1
SCHEMBL6509273 0.86 MEP1B (0.53) FFAR1KDM4EFAAHALDH1A1HTT
SCHEMBL6515378 0.85 FFAR1 (0.52) FFAR1TSHRHSD17B10NR3C1
SCHEMBL6528810 0.83 FFAR1 (0.49) FFAR1FAAHTSHRHSD17B10NR3C1
SCHEMBL6507836 0.82 FFAR1 (0.49) FFAR1KDM4EFAAHTSHRHSD17B10
SCHEMBL6511152 0.82 ALDH1A1 (0.45) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6510780 0.78 TSHR (0.49) FFAR1KDM4EMAPTSMN1; SMN2TSHR
SCHEMBL6512693 0.78 TSHR (0.49) FFAR1TSHRHSD17B10CETPNR3C1
SCHEMBL6516580 0.78 CYP2D6 (0.50) FFAR1KDM4E

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