SCHEMBL8344638

SCHEMBL8344638

CC(=O)C1=Cc2ccccc2CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.40
HSD17B3 P37058 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MAOA P21397 1/20 0.40
KDM1A O60341 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NOTUM Q6P988 3/20 0.38
ALOX5 P09917 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PTGS2 P35354 1/20 0.36

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
SCHEMBL11556904 0.82 MAOA (0.49) MAOBALDH1A1MAOAMTNR1AMTNR1B
SCHEMBL29427899 0.82 MAOA (0.49) MAOBKDM4EALDH1A1HPGDMAOA
SCHEMBL983738 0.82 MAOA (0.49) MAOBKDM4EALDH1A1HPGDMAOA
SCHEMBL950483 0.81 KDM1A (0.43) MAOBHSD17B3MAOAKDM1ASMN1; SMN2
SCHEMBL7911204 0.80 CA12 (0.50) KDM4EALDH1A1HPGDSMN1; SMN2GPR84
SCHEMBL31090834 0.80 CA12 (0.50) KDM4EALDH1A1HPGDSMN1; SMN2GPR84
SCHEMBL18599627 0.80 GAA (0.43) MAOBKDM4EALDH1A1MAOAKDM1A
Trimethylammonium SCHEMBL10874742 0.80 MAOA (0.44) MAOBKDM4EALDH1A1HPGDMAOA
SCHEMBL10647437 0.79 GPR84 (0.43) MAOBKDM4EALDH1A1HPGDMAOA
SCHEMBL15821065 0.78 HDAC6 (0.44) MAOBKDM4EMAOAKDM1ASMN1; SMN2

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
JP-58039638-A None JP disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 WO disclosed
EP-0177222-B1 CYCLOHEXANE-1,3-DIONE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PROCESSES FOR PREPARING THEM, AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS ICI AUSTRALIA LIMITED (AU) 1990-06-27 EP disclosed
US-4604128-A Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1986-08-05 US disclosed
EP-0177222-A1 Cyclohexane-1,3-dione derivatives, compositions containing them, processes for preparing them, and their use as herbicides and plant growth regulators ICI AUSTRALIA LIMITED (AU) 1986-04-09 EP disclosed
JP-S5839638-A NOVEL PREPARATION OF 2-ACETYL-3,4-DIHYDRONAPHTHALENES SUMITOMO CHEM CO LTD 1983-03-08 JP disclosed