SCHEMBL7329654

SCHEMBL7329654

CC(C)COc1ccc(Br)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 7/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
LMNA P02545 3/20 0.50
HPGD P15428 2/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.47
XDH P47989 1/20 0.44
ATM Q13315 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR1B P28222 1/20 0.42
PTGER1 P34995 1/20 0.41
ALOX15 P16050 2/20 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
SCHEMBL4337081 0.88 ALDH1A1 (0.59) ALDH1A1MAPK1TDP1L3MBTL1SMN1; SMN2
SCHEMBL8919848 0.87 MAPK1 (0.48) ALDH1A1MAPK1TDP1L3MBTL1SMN1; SMN2
SCHEMBL16358868 0.85 AAK1 (0.53) ALDH1A1TDP1SMN1; SMN2RAB9ALMNA
SCHEMBL15489212 0.83 ALDH1A1 (0.50) ALDH1A1TDP1SMN1; SMN2LMNAGAA
SCHEMBL5880864 0.83 TSHR (0.57) ALDH1A1MAPK1TDP1SMN1; SMN2NPC1
SCHEMBL3724504 0.83 ALDH1A1 (0.46) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL3722259 0.82 ALDH1A1 (0.45) ALDH1A1TDP1SMN1; SMN2NPC1RAB9A
SCHEMBL3719661 0.82 GAA (0.45) ALDH1A1TDP1SMN1; SMN2NPC1RAB9A
SCHEMBL20443157 0.80 ALDH1A1 (0.44) ALDH1A1MAPK1TDP1L3MBTL1SMN1; SMN2
SCHEMBL15054484 0.80 PTGDR2 (0.58) ALDH1A1MAPK1TDP1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5385914-A Cardiotonic carbostyril agents for treating heart ailments OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-01-31 US disclosed
EP-0355583-B1 Cardiotonics OTSUKA PHARMA CO LTD (JP) 1995-01-25 EP disclosed
US-5266577-A Method of treating congestive heart failure using carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY LTD. (JP) 1993-11-30 US disclosed
US-5198448-A Cardiovascular disorders OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1993-03-30 US disclosed
US-5053514-A Side effect reduction; carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-10-01 US disclosed
EP-0355583-A2 Cardiotonics OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed