SCHEMBL3776574

SCHEMBL3776574

CCCCc1ccc(Nc2ccc(-c3ccc(-c4ccc(Nc5ccc(CCCC)cc5)c(-c5c(C)cccc5CC)c4-c4c(C)cccc4CC)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
RARB P10826 2/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
POLB P06746 2/20 0.33
ATM Q13315 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
SCHEMBL3195484 0.83 PTGS2 (0.38) MMP2MMP3RARBMAPTMEN1
SCHEMBL3776569 0.82 MMP2 (0.39) MMP2MMP3RARBMAPTMEN1
SCHEMBL919587 0.79 MEN1 (0.39) RARBMAPTMEN1KMT2AL3MBTL1
SCHEMBL1726976 0.78 TRPV1 (0.41) RARBMAPTMEN1KMT2AL3MBTL1
SCHEMBL3990796 0.77 TRPV1 (0.42) RARBMAPTMEN1KMT2AL3MBTL1
SCHEMBL3782358 0.76 RARB (0.39) RARBMAPTMEN1KMT2ANPSR1
SCHEMBL3195478 0.74 RARB (0.38) MMP2MMP3RARBMAPTMEN1
SCHEMBL27957227 0.73 HSD11B1 (0.40) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL4358262 0.73 MEN1 (0.41) RARBMAPTMEN1KMT2AL3MBTL1
SCHEMBL13133431 0.71 RARB (0.55) RARBMAPTMEN1KMT2AL3MBTL1

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-20100330477-A1 CORE SHELL PHOTOCONDUCTORS XEROX CORPORATION (US) 2010-12-30 US disclosed