SCHEMBL1345833

SCHEMBL1345833

CCCCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(CCCC)cc4)cc3-c3ccccc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.48
PSMB5 P28074 1/20 0.45
CNR2 P34972 1/20 0.44
LTB4R2 Q9NPC1 3/20 0.42
RARB P10826 3/20 0.41
BRS3 P32247 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BCHE P06276 1/20 0.38
LPAR1 Q92633 2/20 0.37
DHODH Q02127 1/20 0.37
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36

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
SCHEMBL1345834 0.94 PSMB5 (0.43) HSD11B1PSMB5CNR2LTB4R2RARB
SCHEMBL14136762 0.91 HSD11B1 (0.45) HSD11B1PSMB5CNR2LTB4R2RARB
SCHEMBL3952262 0.88 HSD11B1 (0.42) HSD11B1PSMB5CNR2LTB4R2RARB
SCHEMBL14136763 0.88 PSMB5 (0.42) HSD11B1PSMB5CNR2LTB4R2RARB
SCHEMBL10042899 0.87 HSD11B1 (0.56) HSD11B1PSMB5CNR2LTB4R2RARB
SCHEMBL3948790 0.86 HSD11B1 (0.45) HSD11B1PSMB5CNR2LTB4R2RARB
SCHEMBL2362998 0.86 HSD11B1 (0.45) HSD11B1PSMB5CNR2LTB4R2RARB
SCHEMBL3952352 0.86 UCHL3 (0.43) HSD11B1PSMB5LTB4R2RARBBRS3
SCHEMBL13519493 0.86 HSD11B1 (0.42) HSD11B1PSMB5LTB4R2RARBBRS3
SCHEMBL6545266 0.86 HPRT1 (0.41) NPC1POLBNFKB1RAB9ANFKB2

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-8062817-B2 Crosslinked resin mixture backing layer containing photoconductor XEROX CORPORATION (US) 2011-11-22 US disclosed