SCHEMBL13005198

SCHEMBL13005198

C[N+]1=C(/C=C/c2ccc(O)c(C(=O)O)c2)C(C)(C)c2c1ccc1ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.49
HNF4A P41235 1/20 0.49
PTPN2 P17706 1/20 0.46
PTPN6 P29350 1/20 0.46
PTGS2 P35354 1/20 0.45
HTT P42858 3/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
THRB P10828 3/20 0.44
RECQL P46063 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
APEX1 P27695 1/20 0.44
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 2/20 0.42
POLB P06746 2/20 0.42
PKM P14618 2/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL12866144 0.87 MAPT (0.50) PTGS2HTTMEN1LMNAMAPT
SCHEMBL25416827 0.82 MAPT (0.57) PTGS2HTTMEN1LMNAMAPT
SCHEMBL30551677 0.82 MAPT (0.57) PTGS2HTTMEN1LMNAMAPT
SCHEMBL12866050 0.82 MEN1 (0.43) HTTMEN1LMNAMAPTTHRB
SCHEMBL13005206 0.81 PTPN1 (0.56) PTPN1HNF4APTPN2PTPN6PTGS2
Iodide SCHEMBL22542631 0.75 MAPT (0.49) HTTMEN1LMNAMAPTTHRB
Iodide SCHEMBL22542630 0.75 MAPT (0.49) HTTMEN1LMNAMAPTTHRB
SCHEMBL22560152 0.75 MEN1 (0.51) HTTMEN1LMNAMAPTTHRB
Iodide SCHEMBL22542625 0.74 MEN1 (0.50) PTGS2HTTMEN1LMNAMAPT
Iodide SCHEMBL22542633 0.74 MEN1 (0.50) HTTMEN1LMNAMAPTTHRB

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
US-7851701-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-12-14 US disclosed