SCHEMBL3782358

SCHEMBL3782358

CCCCc1ccc(-c2cc(Nc3c(C)cccc3CC)ccc2-c2ccc(-c3ccc(Nc4c(C)cccc4CC)cc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.39
UNG P13051 3/20 0.37
PTGS2 P35354 1/20 0.36
HPGD P15428 3/20 0.35
ATM Q13315 2/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
XBP1 P17861 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
S1PR4 O95977 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 2/20 0.34
HSD11B1 P28845 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 0.96 RARB (0.38) RARBUNGPTGS2HPGDATM
SCHEMBL3195484 0.85 PTGS2 (0.38) RARBUNGPTGS2HPGDATM
SCHEMBL4358262 0.81 MEN1 (0.41) RARBHPGDATMMAPTTP53
SCHEMBL3776569 0.81 MMP2 (0.39) RARBUNGHPGDATMMAPT
SCHEMBL2207287 0.80 NPSR1 (0.45) RARBHPGDATMMAPTTP53
SCHEMBL5617645 0.80 APP (0.42) RARBUNGHPGDATMMAPT
SCHEMBL30966312 0.79 PTGS2 (0.51) PTGS2MAPTTP53HTTSMN1; SMN2
SCHEMBL17549426 0.79 PTGS2 (0.51) PTGS2MAPTTP53HTTSMN1; SMN2
SCHEMBL29977076 0.78 TRPV1 (0.46) RARBHPGDATMMAPTTP53
SCHEMBL9898781 0.78 TRPV1 (0.46) RARBHPGDATMMAPTTP53

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-7855039-B2 Photoconductors containing ketal overcoats XEROX CORPORATION (US) 2010-12-21 US claimed