SCHEMBL6975536

SCHEMBL6975536

Cc1ccc(C(=O)O)c2c1N(C)CCC2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HAAO P46952 1/20 0.38
GAA P10253 1/20 0.37
TNKS O95271 1/20 0.37
PARP1 P09874 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MTHFD2 P13995 1/20 0.36
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
NOTUM Q6P988 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FABP4 P15090 2/20 0.35
SLC16A3 O15427 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MYC P01106 2/20 0.34

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
SCHEMBL6644861 0.78 TSHR (0.40) GAATNKSPARP1TNKS2SMN1; SMN2
SCHEMBL6975538 0.77 RXRA (0.37) GAATNKSPARP1TNKS2SMN1; SMN2
SCHEMBL2733549 0.74 TNKS (0.49) GAATNKSPARP1TNKS2HPGD
SCHEMBL11727757 0.73 RXRA (0.51) HAAOHPGDRXRARXRBRXRG
Methylpyrrolidone SCHEMBL7756996 0.72 BRD4 (0.47) HAAOGAATNKSPARP1TNKS2
SCHEMBL3231655 0.72 RXRA (0.50) HAAOGAAHPGDRXRARXRB
SCHEMBL6643060 0.71 NOTUM (0.44) GAAPARP1SMN1; SMN2RXRARXRB
SCHEMBL251512 0.70 CYP1A2 (0.57) GAAHPGDSMN1; SMN2RXRARXRB
SCHEMBL87519 0.70 CYP1A2 (0.57) GAAHPGDSMN1; SMN2RXRARXRB
SCHEMBL19007350 0.69 HTR2C (0.43) NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0931070-B1 HETAROYL CYCLOHEXANEDIONE DERIVATIVES WITH HERBICIDAL EFFECT BASF AG (DE) 2003-03-19 EP disclosed
US-6479436-B1 SUCH AS 2-(8-BROMOQUINOLIN-5-YL)CARBONYL-1,3-CYCLOHEXANEDIONE BASF AKTIENGESELLSCHAFT (DE) 2002-11-12 US disclosed
US-6262074-B1 4-Hetaroylpyrazol derivatives and the use thereof as herbicides BASF AKTIENGESELLSCHAFT (DE) 2001-07-17 US disclosed
CN-1235600-A 4-hetaroylpyrazol derivatives BASF AG (DE) 1999-11-17 CN disclosed
CN-1230951-A Herbicidal heteroaroyl cyclohexanedione derivatives BASF AG (DE) 1999-10-06 CN disclosed
EP-0931070-A1 HETAROYL CYCLOHEXANEDIONE DERIVATIVES WITH HERBICIDAL EFFECT BASF AKTIENGESELLSCHAFT (DE) 1999-07-28 EP disclosed
WO-1998012180-A1 HETAROYL CYCLOHEXANEDIONE DERIVATIVES WITH HERBICIDAL EFFECT BASF AKTIENGESELLSCHAFT (DE) 1998-03-26 WO disclosed