SCHEMBL29065716

SCHEMBL29065716

CCOC(=O)c1cccc(NC(C)=O)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 3/20 0.52
CYP2C19 P33261 2/20 0.52
CYP1A2 P05177 1/20 0.52
TSHR P16473 5/20 0.52
MAPK1 P28482 3/20 0.52
HTT P42858 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
TP53 P04637 1/20 0.51
HSD17B10 Q99714 2/20 0.50
MAPK10 P53779 1/20 0.50
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CDC25A P30304 1/20 0.49
CDC25B P30305 1/20 0.49

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
SCHEMBL6164753 0.87 KDM4E (0.52) LMNAALDH1A1KDM4ECYP2C19CYP1A2
SCHEMBL8908317 0.85 POLB (0.50) LMNAALDH1A1KDM4ECYP2C19TSHR
SCHEMBL9377828 0.84 TSHR (0.56) LMNAALDH1A1KDM4ECYP2C19CYP1A2
SCHEMBL7312805 0.83 LMNA (0.71) LMNAALDH1A1KDM4ECYP2C19CYP1A2
SCHEMBL11521675 0.83 TSHR (0.68) LMNAALDH1A1CYP2C19CYP1A2TSHR
SCHEMBL768560 0.83 SMN1; SMN2 (0.52) LMNAALDH1A1KDM4ECYP2C19CYP1A2
SCHEMBL15440468 0.83 LMNA (0.49) LMNAALDH1A1KDM4ECYP2C19CYP1A2
SCHEMBL16407064 0.82 HSD17B10 (0.61) LMNAALDH1A1KDM4ECYP2C19CYP1A2
SCHEMBL1963500 0.82 ATM (0.55) LMNAALDH1A1KDM4ECYP2C19CYP1A2
SCHEMBL30346643 0.81 POLB (0.56) LMNAALDH1A1KDM4ECYP2C19CYP1A2

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-113533539-B Method for measuring related substances peculiar to Apremix 江苏先声药业有限公司 2023-06-23 CN disclosed