SCHEMBL3776569

SCHEMBL3776569

CCCCc1ccc(Nc2ccc(-c3ccc(-c4ccc(Nc5ccc(CCCC)cc5)cc4-c4c(C)cccc4CC)c(-c4c(C)cccc4CC)c3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.39
MMP3 P08254 3/20 0.39
RARB P10826 3/20 0.37
MAPT P10636 3/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ATM Q13315 2/20 0.35
TP53 P04637 1/20 0.35
XBP1 P17861 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
SKP2 Q13309 1/20 0.34

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
SCHEMBL3195478 0.86 RARB (0.38) MMP2MMP3RARBMAPTHPGD
SCHEMBL3776574 0.82 MMP2 (0.38) MMP2MMP3RARBMAPTHPGD
SCHEMBL3782358 0.81 RARB (0.39) RARBMAPTHPGDSMN1; SMN2ATM
SCHEMBL1726974 0.79 TRPV1 (0.43) RARBMAPTHPGDSMN1; SMN2ATM
SCHEMBL919586 0.79 MEN1 (0.39) RARBMAPTHPGDSMN1; SMN2ATM
SCHEMBL3990792 0.75 TRPV1 (0.46) RARBMAPTHPGDSMN1; SMN2ATM
SCHEMBL14825214 0.75 RARB (0.48) RARBMAPTHSD17B10ALDH1A1MEN1
SCHEMBL2207287 0.75 NPSR1 (0.45) RARBMAPTHPGDSMN1; SMN2ATM
SCHEMBL3195484 0.74 PTGS2 (0.38) MMP2MMP3RARBMAPTHPGD
SCHEMBL5617645 0.74 APP (0.42) RARBMAPTHPGDSMN1; SMN2ATM

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