SCHEMBL13005261

SCHEMBL13005261

CC1=[N+](C)c2ccccc2/C1=C/c1ccc(O)c(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.49
HNF4A P41235 2/20 0.49
MCL1 Q07820 3/20 0.46
PTPN2 P17706 1/20 0.46
PTPN6 P29350 1/20 0.46
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LCK P06239 2/20 0.42
PTGS2 P35354 1/20 0.42
CSNK2A1 P68400 1/20 0.41
ACMSD Q8TDX5 3/20 0.40
PTP4A3 O75365 1/20 0.39
DHFR P00374 1/20 0.39
AKT1 P31749 1/20 0.39
APP P05067 3/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL12866314 0.85 LCK (0.54) ALDH1A1MAPTKMT2AL3MBTL1LCK
SCHEMBL12866256 0.81 KMT2A (0.49) ALDH1A1MAPTKMT2AL3MBTL1LCK
SCHEMBL12881140 0.70 ERBB2 (0.49) PTPN1HNF4APTPN2PTPN6ALDH1A1
SCHEMBL13005206 0.68 PTPN1 (0.56) PTPN1HNF4APTPN2PTPN6ALDH1A1
SCHEMBL13005195 0.67 PTPN1 (0.75) PTPN1HNF4APTPN2PTPN6ALDH1A1
SCHEMBL673426 0.67 PTPN1 (1.00) PTPN1HNF4AMCL1PTPN2PTPN6
SCHEMBL21385358 0.67 PTPN1 (1.00) PTPN1HNF4AMCL1PTPN2PTPN6
SCHEMBL30075246 0.67 PTPN1 (1.00) PTPN1HNF4AMCL1PTPN2PTPN6
SCHEMBL14191474 0.67 PTPN1 (0.51) PTPN1HNF4AMCL1PTPN2PTPN6
SCHEMBL10921543 0.66 STK17B (0.74) KMT2AAKT1MAPK1

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