SCHEMBL9653233

SCHEMBL9653233

CCOC(=O)C(C(C)=O)=C(O)c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
TDP1 Q9NUW8 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
MAPT P10636 4/20 0.43
ATM Q13315 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.42
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 2/20 0.41
HPGD P15428 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
SCHEMBL9650657 0.99 SMN1; SMN2 (0.45) SMN1; SMN2TSHRCASP1TDP1L3MBTL1
SCHEMBL9653220 0.85 MAPT (0.46) SMN1; SMN2TSHRCASP1TDP1L3MBTL1
SCHEMBL9653285 0.85 MAPT (0.46) SMN1; SMN2TSHRCASP1TDP1L3MBTL1
SCHEMBL9650733 0.85 TDP1 (0.43) SMN1; SMN2TSHRCASP1TDP1L3MBTL1
SCHEMBL9651887 0.84 ALDH1A1 (0.45) SMN1; SMN2TSHRCASP1TDP1L3MBTL1
SCHEMBL9652013 0.83 TSHR (0.60) SMN1; SMN2TSHRCASP1TDP1L3MBTL1
SCHEMBL17261775 0.83 SMN1; SMN2 (0.46) SMN1; SMN2TSHRCASP1TDP1L3MBTL1
SCHEMBL17261777 0.83 SMN1; SMN2 (0.46) SMN1; SMN2TSHRCASP1TDP1L3MBTL1
SCHEMBL9653905 0.82 KMT2A (0.44) SMN1; SMN2TDP1L3MBTL1POLBTHRB
SCHEMBL2706971 0.79 TDP1 (0.51) SMN1; SMN2TSHRCASP1TDP1L3MBTL1

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
EP-0213892-B1 HERBICIDALLY ACTIVE ENOLS ROHM AND HAAS COMPANY (US) 1992-03-25 EP disclosed
US-4781750-A Herbicidally active enols ROHM AND HAAS COMPANY (US) 1988-11-01 US disclosed
EP-0213892-A2 Herbicidally active enols ROHM AND HAAS COMPANY (US) 1987-03-11 EP disclosed