SCHEMBL14280424

SCHEMBL14280424

CC1CC(C)CN(c2ccc(/C=C/C3=[N+](Cc4ccc(C(=O)Oc5ccc(C(C)C)cc5)cc4)c4ccccc4C3(C)C)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.38
MAPT P10636 3/20 0.38
VDR P11473 3/20 0.34
ALDH1A1 P00352 1/20 0.32
PRSS1 P07477 1/20 0.32
ACR P10323 1/20 0.32
PTPN1 P18031 1/20 0.30

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
SCHEMBL14280418 0.90 MAPT (0.50) APPMAPTVDRALDH1A1PRSS1
SCHEMBL14280420 0.83 MAPT (0.48) APPMAPTVDRPRSS1
SCHEMBL14280425 0.81 MAPT (0.54) APPMAPTVDRALDH1A1
SCHEMBL14280422 0.80 MAPT (0.52) APPMAPTVDRALDH1A1
SCHEMBL14280427 0.79 MAPT (0.50) APPMAPTVDRALDH1A1
SCHEMBL13156134 0.79 PRSS1 (0.40) APPMAPTVDRALDH1A1PRSS1
SCHEMBL14280426 0.79 MAPT (0.49) APPMAPTVDR
SCHEMBL14280440 0.78 CTSL (0.41) APPMAPTVDRALDH1A1
SCHEMBL14280428 0.76 MAPT (0.53) APPMAPTVDRALDH1A1
SCHEMBL13672214 0.75 MAPT (0.53) APPMAPT

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-7316890-B2 Indolestyryl compound for use in recording media and method for fabrication thereof INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2008-01-08 US disclosed