SCHEMBL9725645

SCHEMBL9725645

C=CCOC(=O)N(CC=CCl)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.40
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CASP1 P29466 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL9384726 0.85 CYP3A4 (0.44) CYP3A4GAAPKMSMN1; SMN2CASP1
SCHEMBL9725696 0.81 CYP3A4 (0.34) CYP3A4TDP1ALDH1A1TSHRHSD17B10
SCHEMBL9488110 0.81 LMNA (0.55) CYP3A4GAAPKMSMN1; SMN2LMNA
SCHEMBL9382828 0.80 GAA (0.46) CYP3A4GAAPKMSMN1; SMN2CASP1
SCHEMBL22851649 0.78 GAA (0.44) CYP3A4GAAPKMSMN1; SMN2CASP1
SCHEMBL3281782 0.78 CYP3A4 (0.43) CYP3A4GAAPKMSMN1; SMN2CASP1
SCHEMBL9725722 0.76 GAA (0.40) GAATDP1LMNAALDH1A1TSHR
SCHEMBL4690235 0.76 HCAR2 (0.47) GAATDP1LMNAALDH1A1NPSR1
SCHEMBL1843578 0.76 CYP3A4 (0.41) CYP3A4GAAPKMSMN1; SMN2CASP1
SCHEMBL4959369 0.76 CYP3A4 (0.49) CYP3A4GAAPKMSMN1; SMN2CASP1

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
CN-1030679-C Herbicide increasing of service life in soil STAUFFER CHEMICAL CO (US) 1996-01-17 CN disclosed
US-5171356-A Thiolcarbamate and nonphytotoxic extender which minimizes soil degradation ICI AMERICAS INC. (US) 1992-12-15 US disclosed
CN-85107560-A Herbicidal combination for extending the useful life in soil 1987-02-18 CN disclosed