SCHEMBL4683383

SCHEMBL4683383

CCOc1cc(NC(=O)O)c(F)cc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 1/20 0.45
TBXA2R P21731 4/20 0.45
GAA P10253 3/20 0.43
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 2/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MYOC Q99972 1/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL4683388 1.00 HSPB1 (0.45) HSPB1TBXA2RGAAALDH1A1SMN1; SMN2
SCHEMBL4785116 0.86 TBXA2R (0.58) TBXA2RPOLB
SCHEMBL4226643 0.86 PKM (0.47) HSPB1TBXA2RGAAALDH1A1SMN1; SMN2
SCHEMBL4684087 0.85 ALDH1A1 (0.47) TBXA2RGAAALDH1A1SMN1; SMN2HTT
SCHEMBL4684093 0.85 ALDH1A1 (0.47) TBXA2RGAAALDH1A1SMN1; SMN2HTT
SCHEMBL4684505 0.83 HSPB1 (0.50) HSPB1GAAALDH1A1SMN1; SMN2HTT
SCHEMBL4684500 0.83 HSPB1 (0.50) HSPB1GAAALDH1A1SMN1; SMN2HTT
SCHEMBL4683615 0.81 MEN1 (0.51) TBXA2RGAAALDH1A1HTTL3MBTL1
SCHEMBL4683610 0.81 MEN1 (0.51) TBXA2RGAAALDH1A1HTTL3MBTL1
SCHEMBL4229163 0.79 MAPT (0.53) HSPB1TBXA2RALDH1A1HTTMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed