SCHEMBL6975979

SCHEMBL6975979

[CH2]CCC(=O)c1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.59
HDAC1 Q13547 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
HSD11B1 P28845 1/20 0.50
HSP90AA1 P07900 1/20 0.50
KCNH2 Q12809 1/20 0.50
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47

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
SCHEMBL6979097 0.88 HDAC1 (0.61) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL241664 0.86 GSK3B (0.70) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL11043618 0.84 HDAC8 (0.67) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL301099 0.82 GSK3B (0.64) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL133319 0.82 HDAC1 (0.75) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL27354009 0.80 NPC1 (0.68) HSP90AA1KCNH2ALDH1A1MAPTLMNA
SCHEMBL25894500 0.80 ALDH1A1 (0.65) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL3840781 0.80 GSK3B (0.68) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL4496867 0.78 GSK3B (0.59) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL100952 0.78 NR4A2 (0.65) GSK3BHDAC1HDAC8HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104755077-B Composition for preventing or treating kidney disease comprising pyrazole derivative 梨花女子大学校产学协力团 2018-05-15 CN disclosed
CN-104755077-A Composition for preventing or treating kidney disease comprising pyrazole derivative UNIV EWHA IND COLLABORATION 2015-07-01 CN disclosed
EP-1206262-A4 NPY ANTAGONISTS: SPIROISOQUINOLINONE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2003-01-02 EP disclosed
EP-1206262-A1 NPY ANTAGONISTS: SPIROISOQUINOLINONE DERIVATIVES Bristol-Myers Squibb Company (US) 2002-05-22 EP disclosed
US-6348472-B1 ANOREXIGENIC AGENTS AND EATING DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2002-02-19 US disclosed
WO-2001013917-A1 NPY ANTAGONISTS: SPIROISOQUINOLINONE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-03-01 WO disclosed
CN-1057674-C Growth promoting composition and production thereof KITASATO INST (JP) 2000-10-25 CN disclosed
US-5854407-A 15-hydroxy 6,9-hemiacetal erythromycin compounds TAKEDA CHEMICAL CORPORATION (JP) 1998-12-29 US disclosed
EP-0561413-B1 Erythromycin deriatives, preparation and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-06-05 EP disclosed
US-5470961-A 14 and/or 15-hydroxy 6,9 hemiacetal erythromycin derivatives TAKEDA CHEMICAL IND., LTD. (JP) 1995-11-28 US disclosed
EP-0561413-A1 Erythromycin deriatives, preparation and use thereof Takeda Chemical Industries, Ltd. (JP) 1993-09-22 EP disclosed
US-5175150-A Stimulating digective contraction KITASATO, KENKYUSHO (JP) 1992-12-29 US disclosed
US-5008249-A Administering anhydroerythromycin derivative KITASATO KENKYUSHO (JP) 1991-04-16 US disclosed
US-4948782-A A method of promoting the growth of domestic animals with erythromycin derivative containing composition KITASATO KENKYUSHO (JP) 1990-08-14 US disclosed
CN-88101027-A Growth promoting composition and preparation method thereof 1988-08-31 CN disclosed
EP-0215355-A2 Erythromycin derivative and process for preparing the same KITASATO KENKYUSHO (JP) 1987-03-25 EP disclosed
EP-0213617-A2 Digestive tract contractile motion stimulant KITASATO KENKYUSHO (JP) 1987-03-11 EP disclosed