SCHEMBL11240221

SCHEMBL11240221

CCOC(=O)C(=O)CC(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 2/20 0.63
FEN1 P39748 2/20 0.63
GPR35 Q9HC97 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 3/20 0.45
MAPT P10636 3/20 0.43
NLRP3 Q96P20 1/20 0.43
POLB P06746 1/20 0.42
CASP1 P29466 1/20 0.42
CYP2C9 P11712 3/20 0.41
GAA P10253 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 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
SCHEMBL13499113 0.88 ERCC5 (0.61) ERCC5FEN1GPR35ALDH1A1LMNA
SCHEMBL31316877 0.87 FEN1 (0.47) ERCC5FEN1GPR35ALDH1A1LMNA
SCHEMBL12952931 0.85 ERCC5 (0.58) ERCC5FEN1GPR35TAS1R3TAS1R1
SCHEMBL6094162 0.83 FEN1 (0.60) ERCC5FEN1GPR35ALDH1A1LMNA
SCHEMBL7548898 0.81 TSHR (0.50) ERCC5FEN1GPR35TAS1R3TAS1R1
SCHEMBL29444422 0.79 F2R (0.49) ERCC5FEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL14921849 0.79 F2R (0.49) ERCC5FEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL1739513 0.78 ERCC5 (0.65) ERCC5FEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL11418791 0.78 TSHR (0.63) TAS1R3TAS1R1TAS1R2ALDH1A1LMNA
SCHEMBL16563920 0.77 MEN1 (0.52) FEN1GPR35ALDH1A1LMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4326881-A FUNGICIDES NIPPON SODA COMPANY LIMITED (JP) 1982-04-27 US disclosed