SCHEMBL8944074

SCHEMBL8944074

COc1ccc(N(c2ccc(Oc3ccc(N(c4ccc(OC)cc4)c4cccc(C)c4)cc3)cc2)c2cccc(C)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.48
HSD17B1 P14061 3/20 0.48
HSD17B2 P37059 3/20 0.48
RELA Q04206 2/20 0.46
LTA4H P09960 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PGR P06401 2/20 0.40
GAA P10253 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
AR P10275 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL14158330 0.95 ACHE (0.53) ACHEHSD17B1HSD17B2RELANPC1
SCHEMBL8943710 0.94 ACHE (0.55) ACHEHSD17B1HSD17B2RELALTA4H
SCHEMBL8943708 0.93 HSD17B1 (0.53) ACHEHSD17B1HSD17B2RELANPC1
SCHEMBL16449917 0.92 NPC1 (0.52) ACHERELALTA4HNPC1RAB9A
SCHEMBL14163840 0.92 NPC1 (0.52) ACHERELALTA4HNPC1RAB9A
SCHEMBL10065391 0.90 NPC1 (0.51) ACHERELALTA4HNPC1RAB9A
SCHEMBL13152209 0.90 ACHE (0.48) ACHERELANPC1RAB9ATP53
SCHEMBL14570731 0.90 ACHE (0.48) ACHERELANPC1RAB9ATP53
SCHEMBL8943824 0.90 HSD17B1 (0.50) ACHEHSD17B1HSD17B2LTA4HNPC1
SCHEMBL13030516 0.90 HSD17B1 (0.57) ACHEHSD17B1HSD17B2ALDH1A1TP53

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-5480765-A PRESSURE AND HEAT SENSITIVE PAPER, IMPROVED PHOTOSTABILITY BY ADDITION OF TRIARYLAMINE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1996-01-02 US disclosed