SCHEMBL28575927

SCHEMBL28575927

Cc1cc(=O)[nH]c(=O)n1Cc1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.49
PPARG P37231 4/20 0.49
ADORA2A P29274 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
ATM Q13315 2/20 0.43
NPSR1 Q6W5P4 2/20 0.42
GAA P10253 1/20 0.42
C5AR1 P21730 1/20 0.42
ACHE P22303 3/20 0.41
BCHE P06276 2/20 0.41
CHRM1 P11229 1/20 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
SCHEMBL1641839 0.81 GNRHR (0.40) HPGDTSHRHSD17B10
SCHEMBL29807981 0.81 GNRHR (0.40) HPGDTSHRHSD17B10
SCHEMBL4480638 0.76 HPGD (0.66) HPGDTSHRKDM4EALDH1A1
SCHEMBL22612923 0.75 EPHX2 (0.63) EPHX2PPARGTDP1HPGDTSHR
SCHEMBL15998964 0.72 NOTUM (0.62) TDP1TSHRKDM4EALDH1A1ATM
SCHEMBL127368 0.71 TYMP (0.45) HPGDTSHRALDH1A1
SCHEMBL22613028 0.70 EPHX2 (0.56) EPHX2PPARGTSHRKDM4EALDH1A1
SCHEMBL5242602 0.69 EPHX2 (0.63) EPHX2PPARGCHRM1
SCHEMBL12727250 0.69 TYMP (0.42) HPGDHSD17B10KDM4EALDH1A1
SCHEMBL15998953 0.69 TSHR (0.64) TDP1HPGDTSHRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112763598-B Method for separating and determining key intermediate and related impurities of oxadegril sodium by HPLC (high Performance liquid chromatography) method 上海博悦生物科技有限公司 2021-09-17 CN disclosed
CN-112763598-A Method for separating and determining key intermediate and related impurities of oxadegril sodium by HPLC (high Performance liquid chromatography) method 上海博悦生物科技有限公司 2021-05-07 CN disclosed