SCHEMBL8943776

SCHEMBL8943776

COc1cccc(N(c2ccc(C)cc2)c2ccc(Oc3ccc(N(c4ccc(C)cc4)c4cccc(OC)c4)cc3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.50
HSD17B2 P37059 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
ACHE P22303 2/20 0.47
ADRA2A P08913 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1B P35368 1/20 0.46
PGR P06401 2/20 0.46
MMP13 P45452 1/20 0.45
LTA4H P09960 1/20 0.44
MAOB P27338 1/20 0.44
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MTNR1A P48039 4/20 0.41

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
SCHEMBL8943967 0.93 HSD17B1 (0.55) HSD17B1HSD17B2SMN1; SMN2ACHEPGR
SCHEMBL8943710 0.92 ACHE (0.55) HSD17B1HSD17B2SMN1; SMN2ACHEADRA2A
SCHEMBL12018970 0.92 PGR (0.46) HSD17B1HSD17B2SMN1; SMN2ACHEADRA2A
SCHEMBL8943783 0.90 LTA4H (0.57) HSD17B1HSD17B2SMN1; SMN2PGRLTA4H
SCHEMBL14340638 0.90 ACHE (0.50) SMN1; SMN2ACHEADRA2AADRA1AADRA2B
SCHEMBL9581416 0.89 ACHE (0.48) HSD17B1HSD17B2SMN1; SMN2ACHEADRA2A
SCHEMBL13929902 0.89 ACHE (0.48) HSD17B1HSD17B2SMN1; SMN2ACHEADRA2A
SCHEMBL18052478 0.89 ACHE (0.48) HSD17B1HSD17B2SMN1; SMN2ACHEADRA2A
SCHEMBL8944379 0.88 HTT (0.44) HSD17B1HSD17B2SMN1; SMN2ACHEADRA2A
SCHEMBL12012653 0.88 HSD17B1 (0.56) HSD17B1HSD17B2SMN1; SMN2PGRMMP13

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