SCHEMBL8943710

SCHEMBL8943710

COc1cccc(N(c2ccc(Oc3ccc(N(c4cccc(C)c4)c4cccc(OC)c4)cc3)cc2)c2cccc(C)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.55
HSD17B1 P14061 5/20 0.49
HSD17B2 P37059 5/20 0.49
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PGR P06401 2/20 0.45
LTA4H P09960 1/20 0.43
MAOB P27338 1/20 0.42
AR P10275 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RELA Q04206 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL8944074 0.94 ACHE (0.48) ACHEHSD17B1HSD17B2ALDH1A1SMN1; SMN2
SCHEMBL8943776 0.92 HSD17B1 (0.50) ACHEHSD17B1HSD17B2SMN1; SMN2PGR
SCHEMBL8943967 0.92 HSD17B1 (0.55) ACHEHSD17B1HSD17B2ALDH1A1SMN1; SMN2
SCHEMBL18350097 0.90 ACHE (0.58) ACHEHSD17B1HSD17B2PGRMAOB
SCHEMBL8943708 0.90 HSD17B1 (0.53) ACHEHSD17B1HSD17B2ALDH1A1SMN1; SMN2
SCHEMBL8497577 0.90 ACHE (0.67) ACHEHSD17B1HSD17B2ALDH1A1MAOB
SCHEMBL9915643 0.89 ACHE (0.56) ACHEHSD17B1HSD17B2MAOBMTNR1A
SCHEMBL8943783 0.89 LTA4H (0.57) HSD17B1HSD17B2ALDH1A1SMN1; SMN2PGR
SCHEMBL7875082 0.89 ACHE (0.60) ACHEHSD17B1HSD17B2MAOBRELA
SCHEMBL14158330 0.89 ACHE (0.53) ACHEHSD17B1HSD17B2ALDH1A1SMN1; SMN2

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