SCHEMBL20056954

SCHEMBL20056954

CCCCc1ccc(N(c2ccc(-c3ccc(-c4ccc(C)cc4)cc3)cc2)c2cccc(C)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.42
HSD11B1 P28845 2/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TP53 P04637 2/20 0.41
CNR2 P34972 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GPX4 P36969 1/20 0.41
PAX8 Q06710 1/20 0.41
RARB P10826 4/20 0.41
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ATM Q13315 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
POLB P06746 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2773665 1.00 LTB4R2 (0.42) LTB4R2HSD11B1NPC1RAB9ATP53
SCHEMBL3185777 1.00 LTB4R2 (0.42) LTB4R2HSD11B1NPC1RAB9ATP53
SCHEMBL2769407 1.00 LTB4R2 (0.42) LTB4R2HSD11B1NPC1RAB9ATP53
SCHEMBL12779468 1.00 LTB4R2 (0.42) LTB4R2HSD11B1NPC1RAB9ATP53
SCHEMBL2770572 0.97 HSD11B1 (0.46) LTB4R2HSD11B1NPC1RAB9ATP53
SCHEMBL6760265 0.97 HSD11B1 (0.46) LTB4R2HSD11B1NPC1RAB9ATP53
SCHEMBL258125 0.97 HSD11B1 (0.43) LTB4R2HSD11B1NPC1RAB9ATP53
SCHEMBL2292411 0.97 HSD11B1 (0.43) LTB4R2HSD11B1NPC1RAB9ATP53
SCHEMBL2772632 0.97 HSD11B1 (0.43) LTB4R2HSD11B1NPC1RAB9ATP53
SCHEMBL17702084 0.97 HSD11B1 (0.43) LTB4R2HSD11B1NPC1RAB9ATP53

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
EP-3309618-A1 POLYCARBONATE CONTAINING PHOTOCONDUCTORS Xerox Corporation (US) 2018-04-18 EP disclosed