SCHEMBL28813339

SCHEMBL28813339

CSc1cc(C(F)(F)F)ccc1C(=O)C(C=O)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.40
PDE2A O00408 1/20 0.39
CES2 O00748 1/20 0.35
PSMB11 A5LHX3 1/20 0.35
PSMA7 O14818 1/20 0.35
PSMB1 P20618 1/20 0.35
PSMA1 P25786 1/20 0.35
PSMA2 P25787 1/20 0.35
PSMA3 P25788 1/20 0.35
PSMA4 P25789 1/20 0.35
PSMB8 P28062 1/20 0.35
PSMB9 P28065 1/20 0.35
PSMA5 P28066 1/20 0.35
PSMB4 P28070 1/20 0.35
PSMB6 P28072 1/20 0.35
PSMB5 P28074 1/20 0.35
PSMB10 P40306 1/20 0.35
PSMB3 P49720 1/20 0.35
PSMB2 P49721 1/20 0.35
PSMA6 P60900 1/20 0.35

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
SCHEMBL28017759 0.81 SLC6A9 (0.39) SLC6A9PDE2ACES2KDM4EALDH1A1
SCHEMBL29683463 0.75 CES2 (0.47) SLC6A9CES2KDM4EALDH1A1HPGD
SCHEMBL6751351 0.75 CES2 (0.47) SLC6A9CES2KDM4EALDH1A1HPGD
SCHEMBL28581372 0.75 EPHX1 (0.38) SLC6A9PDE2ACES2PSMB11PSMA7
SCHEMBL28813587 0.74 LIPG (0.43) SLC6A9CES2KDM4EALDH1A1HPGD
SCHEMBL28095379 0.74 CES2 (0.49) SLC6A9CES2KDM4EALDH1A1HPGD
SCHEMBL427104 0.72 ALDH1A1 (0.57) SLC6A9CES2KDM4EALDH1A1HPGD
SCHEMBL3028484 0.71 CES2 (0.46) SLC6A9PDE2ACES2KDM4EALDH1A1
SCHEMBL2325301 0.71 KDM4E (0.47) SLC6A9CES2KDM4EALDH1A1HPGD
SCHEMBL8047749 0.71 CES2 (0.41) SLC6A9CES2KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-217120226-U Production system of isoxazole compound 内蒙古蓝科生物科技有限公司 2022-08-05 CN claimed
CN-217120226-U Production system of isoxazole compound 内蒙古蓝科生物科技有限公司 2022-08-05 CN disclosed
CN-217120226-U Production system of isoxazole compound 内蒙古蓝科生物科技有限公司 2022-08-05 CN disclosed