SCHEMBL15077487

SCHEMBL15077487

CCCCOc1ccc(-c2ccc(N(c3ccc(-c4ccc(/C=C(\C)C#N)s4)cc3)c3ccc(-c4ccc(OCCCC)cc4OCCCC)cc3)cc2)c(OCCCC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
APP P05067 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.34
PTPN11 Q06124 3/20 0.33
PTGES O14684 1/20 0.32
GCGR P47871 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
ALDH1A1 P00352 3/20 0.31
LMNA P02545 2/20 0.31
KMT2A Q03164 2/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 3/20 0.30
NPC1 O15118 2/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL3437168 0.88 MAPT (0.59) MAPTAPPPTPN11PTGES
SCHEMBL29801735 0.88 MAPT (0.59) MAPTAPPPTPN11PTGES
SCHEMBL18420686 0.88 MAPT (0.59) MAPTAPPPTPN11PTGES
SCHEMBL18420687 0.88 MAPT (0.59) MAPTAPPPTPN11PTGES
SCHEMBL23100519 0.85 MAPT (0.55) MAPTAPPPTGES
SCHEMBL19157508 0.78 MAPT (0.41) MAPTAPPALDH1A1KMT2ARAB9A
SCHEMBL7009846 0.78 MAPT (0.50) MAPTAPPSMN1; SMN2CYP1A2CYP3A4
SCHEMBL7011753 0.77 MAPT (0.55) MAPTAPPSMN1; SMN2CYP1A2CYP3A4
SCHEMBL15078788 0.76 MAPT (0.46) MAPTAPPPTPN11PTGESS1PR1
SCHEMBL16982570 0.75 PTGES (0.45) MAPTAPPPTPN11PTGESALDH1A1

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-20130160855-A1 HIGH EFFICIENCY DYE-SENSITIZED SOLAR CELLS DYENAMO AB (SE) 2013-06-27 US disclosed