SCHEMBL9650657

SCHEMBL9650657

CCOC(=O)C(C(C)=O)=C(O)c1ccc(Cl)cc1Cl.[NaH]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
TDP1 Q9NUW8 3/20 0.44
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 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
ATM Q13315 1/20 0.42
MAPT P10636 4/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
KDM4E B2RXH2 2/20 0.41
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
SCHEMBL9653233 0.99 SMN1; SMN2 (0.46) SMN1; SMN2TSHRCASP1TDP1L3MBTL1
SCHEMBL9651887 0.86 ALDH1A1 (0.45) SMN1; SMN2TSHRCASP1TDP1L3MBTL1
SCHEMBL9653285 0.84 MAPT (0.46) SMN1; SMN2TSHRCASP1TDP1L3MBTL1
SCHEMBL9650733 0.84 TDP1 (0.43) SMN1; SMN2TSHRCASP1TDP1L3MBTL1
SCHEMBL9653220 0.84 MAPT (0.46) SMN1; SMN2TSHRCASP1TDP1L3MBTL1
SCHEMBL9652013 0.82 TSHR (0.60) SMN1; SMN2TSHRCASP1TDP1L3MBTL1
SCHEMBL17261775 0.82 SMN1; SMN2 (0.46) SMN1; SMN2TSHRCASP1TDP1L3MBTL1
SCHEMBL17261777 0.82 SMN1; SMN2 (0.46) SMN1; SMN2TSHRCASP1TDP1L3MBTL1
SCHEMBL9653905 0.81 KMT2A (0.44) SMN1; SMN2TDP1L3MBTL1POLBTHRB
SCHEMBL2706971 0.78 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