SCHEMBL9480356

SCHEMBL9480356

CCOc1ccc(COc2ccc[c]n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
NQO1 P15559 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
APP P05067 4/20 0.40
HPGD P15428 2/20 0.39
LTA4H P09960 1/20 0.39
ALOX5 P09917 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL9480094 0.86 APP (0.50) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL9479749 0.83 LTA4H (0.50) NPC1RAB9AALDH1A1MAPTNQO1
SCHEMBL129417 0.82
SCHEMBL6543805 0.81 CYP1A2 (0.46) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL447619 0.80 LMNA (0.44) RAB9AALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL9481885 0.80 MAOB (0.47) NPC1RAB9ALMNASMN1; SMN2APP
SCHEMBL9480190 0.80 MAOB (0.45) NPC1RAB9AAPPMAOB
SCHEMBL9479730 0.80 MAOB (0.45) NPC1ALDH1A1APPBCHEMAOB
SCHEMBL19223062 0.75 LTA4H (0.67) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL128336 0.74 LTA4H (0.39) NPC1RAB9AALDH1A1LMNAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0247381-B1 5-FLUROROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-04 EP disclosed
US-5047521-A Anticarcinogenic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US disclosed
EP-0247381-A2 5-flurorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-12-02 EP disclosed