SCHEMBL28813587

SCHEMBL28813587

CSc1cc(C(F)(F)F)ccc1C(=O)CC1CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.43
LIPC P11150 1/20 0.43
SLC6A9 P48067 1/20 0.41
CES2 O00748 1/20 0.39
FFAR4 Q5NUL3 5/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CFTR P13569 1/20 0.37
CSNK1D P48730 1/20 0.37
LPL P06858 1/20 0.36
NAMPT P43490 1/20 0.36
USP2 O75604 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD11B1 P28845 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
SCHEMBL29391001 0.82 SLC6A9 (0.41) LIPGLIPCSLC6A9CES2KDM4E
SCHEMBL6751338 0.82 SLC6A9 (0.41) LIPGLIPCSLC6A9CES2KDM4E
SCHEMBL8047749 0.81 CES2 (0.41) SLC6A9CES2KDM4EALDH1A1HPGD
SCHEMBL28581372 0.79 EPHX1 (0.38) LIPGLIPCSLC6A9CES2KDM4E
SCHEMBL28095379 0.78 CES2 (0.49) SLC6A9CES2KDM4EALDH1A1HPGD
SCHEMBL8490842 0.77 CYP2C19 (0.42) SLC6A9CES2KDM4EALDH1A1HPGD
SCHEMBL29683463 0.76 CES2 (0.47) SLC6A9CES2KDM4EALDH1A1HPGD
SCHEMBL427104 0.76 ALDH1A1 (0.57) SLC6A9CES2KDM4EALDH1A1HPGD
SCHEMBL6751351 0.76 CES2 (0.47) SLC6A9CES2KDM4EALDH1A1HPGD
SCHEMBL2325301 0.75 KDM4E (0.47) 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 1 patent. 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 disclosed