SCHEMBL14280418

SCHEMBL14280418

CC(C)c1ccc(OC(=O)c2ccc(C[N+]3=C(/C=C/c4ccc(N5CCCC5)cc4)C(C)(C)c4ccccc43)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
APP P05067 3/20 0.50
VDR P11473 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ESR1 P03372 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
PRSS1 P07477 2/20 0.33

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
SCHEMBL14280420 0.93 MAPT (0.48) MAPTAPPVDRL3MBTL1LMNA
SCHEMBL14280425 0.91 MAPT (0.54) MAPTAPPVDRL3MBTL1LMNA
SCHEMBL14280422 0.91 MAPT (0.52) MAPTAPPVDRL3MBTL1LMNA
SCHEMBL14280424 0.90 APP (0.38) MAPTAPPVDRALDH1A1PRSS1
SCHEMBL14280427 0.89 MAPT (0.50) MAPTAPPVDRL3MBTL1LMNA
SCHEMBL14280426 0.89 MAPT (0.49) MAPTAPPVDRL3MBTL1LMNA
SCHEMBL14280440 0.88 CTSL (0.41) MAPTAPPVDRLMNASMN1; SMN2
SCHEMBL14280428 0.86 MAPT (0.53) MAPTAPPVDRL3MBTL1LMNA
SCHEMBL14280439 0.84 MAPT (0.43) MAPTAPPVDRL3MBTL1LMNA
SCHEMBL14280421 0.84 MAPT (0.51) MAPTAPPVDRL3MBTL1LMNA

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