SCHEMBL1345834

SCHEMBL1345834

CCCCc1ccc(N(c2ccc(C)cc2)c2cccc(-c3cc(N(c4ccc(C)cc4)c4ccc(CCCC)cc4)ccc3-c3ccccc3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.43
HSD11B1 P28845 2/20 0.42
CNR2 P34972 1/20 0.42
LTB4R2 Q9NPC1 3/20 0.38
RARB P10826 2/20 0.37
BCHE P06276 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
LPAR1 Q92633 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL14136763 0.94 PSMB5 (0.42) PSMB5HSD11B1CNR2LTB4R2RARB
SCHEMBL1345833 0.94 HSD11B1 (0.48) PSMB5HSD11B1CNR2LTB4R2RARB
SCHEMBL14136762 0.90 HSD11B1 (0.45) PSMB5HSD11B1CNR2LTB4R2RARB
SCHEMBL6545270 0.87 KDM4E (0.36) PSMB5CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL17360011 0.84 HPRT1 (0.40) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL13519493 0.83 HSD11B1 (0.42) PSMB5HSD11B1LTB4R2RARBBCHE
SCHEMBL9236703 0.83 CNR2 (0.46) HSD11B1CNR2BCHENPC1TP53
SCHEMBL12831536 0.83 CNR2 (0.55) HSD11B1CNR2BCHEMEN1KMT2A
SCHEMBL10042897 0.83 CNR2 (0.55) HSD11B1CNR2BCHEMEN1KMT2A
SCHEMBL13197732 0.83 CNR2 (0.55) HSD11B1CNR2BCHEMEN1KMT2A

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