SCHEMBL13005206

SCHEMBL13005206

C[N+]1=C(/C=C/c2ccc(O)c(C(=O)O)c2)C(C)(C)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.56
HNF4A P41235 1/20 0.56
PTPN2 P17706 1/20 0.52
PTPN6 P29350 1/20 0.52
APP P05067 7/20 0.51
MAPT P10636 4/20 0.51
PTGS2 P35354 1/20 0.48
VDR P11473 5/20 0.47
MEN1 O00255 3/20 0.47
LMNA P02545 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
S1PR4 O95977 2/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47
ALPG P10696 2/20 0.47
THRB P10828 2/20 0.47
PKM P14618 2/20 0.47
S1PR1 P21453 2/20 0.47
NTSR1 P30989 2/20 0.47

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
SCHEMBL12866128 0.85 MAPT (0.57) APPMAPTVDRMEN1LMNA
SCHEMBL17994892 0.82 MAPT (0.57) PTPN1HNF4AAPPMAPTVDR
SCHEMBL17994913 0.81 MAPT (0.53) APPMAPTVDRMEN1LMNA
SCHEMBL13005198 0.81 PTPN1 (0.49) PTPN1HNF4APTPN2PTPN6APP
SCHEMBL12866084 0.81 MAPT (0.50) APPMAPTPTGS2VDRMEN1
SCHEMBL25664248 0.79 MAPT (0.72) APPMAPTVDRMEN1LMNA
SCHEMBL11988995 0.79 MAPT (0.64) APPMAPTVDRMEN1LMNA
SCHEMBL12866186 0.77 MAPT (0.48) APPMAPTVDRMEN1LMNA
SCHEMBL23143172 0.76 PTPN1 (0.61) PTPN1HNF4APTPN2PTPN6APP
SCHEMBL30075257 0.76 PTPN1 (0.61) PTPN1HNF4APTPN2PTPN6APP

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