SCHEMBL13005252

SCHEMBL13005252

CCCCCCCCN1/C(=C/C2=C(Cl)/C(=C/c3ccc(O)c(C(=O)O)c3)CCC2)C(C)(C)c2cc(OC)ccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.33
EGFR P00533 1/20 0.33
HDAC2 Q92769 1/20 0.33
MAOB P27338 1/20 0.33
SCN9A Q15858 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
JUN P05412 1/20 0.32
MME P08473 1/20 0.32
NFKB1 P19838 1/20 0.32
NOD2 Q9HC29 1/20 0.32
STAT3 P40763 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HDAC1 Q13547 2/20 0.32
MITF O75030 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL12866277 0.91 EGFR (0.40) APPEGFRHDAC2SCN9AMEN1
SCHEMBL12866249 0.88 MEN1 (0.36) EGFRHDAC2SCN9AMEN1KMT2A
SCHEMBL13005245 0.79 APP (0.33) APPMEN1KMT2APOLBKDM4E
SCHEMBL12881946 0.70 EGFR (0.33) APPEGFR
SCHEMBL12866275 0.69 EGFR (0.33) APPEGFRMEN1KMT2AKDM4E
SCHEMBL15235449 0.69 KAT8 (0.37) APP
SCHEMBL13005202 0.69 HDAC3 (0.33) APPPOLBHDAC1KDM4EMAPT
SCHEMBL15235539 0.66 EGFR (0.45) EGFRMEN1KMT2AJUNMME
SCHEMBL14300898 0.66 FOLH1 (0.44) APPEGFR
SCHEMBL12713670 0.65 FOLH1 (0.48) APPEGFR

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-2262050-B1 Photoelectric conversion element sensitized with methine dyes NIPPON KAYAKU KK (JP) 2013-09-04 EP disclosed
US-7851701-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-12-14 US disclosed