SCHEMBL8635674

SCHEMBL8635674

CCOC(=O)CC(=O)c1ccc(-c2ccccc2F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
MAPT P10636 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PKM P14618 1/20 0.46
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
NLRP3 Q96P20 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
DHODH Q02127 1/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARG P37231 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
SCHEMBL11759158 0.88 L3MBTL1 (0.50) ALDH1A1MAPTL3MBTL1NPSR1NPC1
SCHEMBL11548787 0.84 MAPT (0.45) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL11101131 0.82 MAPT (0.56) ALDH1A1MAPTL3MBTL1NPSR1NPC1
SCHEMBL4270804 0.82 MAPT (0.61) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL7913579 0.81 HDAC8 (0.55) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL1906865 0.81 L3MBTL1 (0.62) ALDH1A1MAPTL3MBTL1NPSR1NPC1
SCHEMBL30989217 0.81 L3MBTL1 (0.62) ALDH1A1MAPTL3MBTL1NPSR1NPC1
SCHEMBL11727313 0.80 CA12 (0.47) ALDH1A1MAPTL3MBTL1NPSR1NPC1
SCHEMBL8634975 0.80 KDM4E (0.47) ALDH1A1L3MBTL1NPSR1NPC1RAB9A
Ethyl Propionate SCHEMBL27784379 0.80 SMN1; SMN2 (0.46) ALDH1A1MAPTL3MBTL1NPSR1NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0601191-B1 NOVEL TETRACYCLIC COMPOUND KYOWA HAKKO KOGYO KK (JP) 1998-07-22 EP disclosed
US-5371225-A Immunosuppressants KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-12-06 US disclosed
EP-0601191-A1 NOVEL TETRACYCLIC COMPOUND KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1994-06-15 EP disclosed
US-3997589-A ANTIPHLOGISTIC, ANTIPROLIFERATIVES BOEHRINGER INGELHEIM GMBH (DT) 1976-12-14 US disclosed