SCHEMBL10779754

SCHEMBL10779754

C=CC(NC(=O)c1ccccc1)P(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
HPGD P15428 3/20 0.44
SLC1A2 P43004 1/20 0.44
CTRB1 P17538 3/20 0.42
CA12 O43570 2/20 0.42
HDAC3 O15379 1/20 0.42
CA1 P00915 1/20 0.42
IDO1 P14902 1/20 0.42
ALOX15 P16050 1/20 0.42
HDAC1 Q13547 1/20 0.42
CA9 Q16790 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
PIN1 Q13526 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 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
SCHEMBL4804109 0.78 MEN1 (0.58) HPGDHDAC8HDAC6ALDH1A1
SCHEMBL28227259 0.77 LMNA (0.47) LMNAHPGDSLC1A2CTRB1CA12
SCHEMBL9811841 0.76 CA12 (0.67) LMNAHPGDSLC1A2CTRB1CA12
SCHEMBL4882314 0.75 CTRB1 (0.49) LMNAHPGDSLC1A2CTRB1CA12
SCHEMBL9362667 0.75 CA12 (0.58) CA12CA1ALOX15CA9TDP1
SCHEMBL11292044 0.75 ALDH1A1 (0.50) LMNAHPGDSLC1A2CTRB1CA12
SCHEMBL4442412 0.75 SLC1A2 (0.54) LMNAHPGDSLC1A2CTRB1CA12
SCHEMBL9509041 0.74 CYP1A2 (0.55) LMNAHPGDSLC1A2CTRB1CA12
SCHEMBL782748 0.72 HPGD (0.45) LMNAHPGDSLC1A2CTRB1CA12
SCHEMBL29289513 0.71 ALDH1A1 (0.54) LMNAHPGDCTRB1ALDH1A1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4685952-A Benzoylaminoalkylenephosphonic acids or esters thereof, herbicidal compositions containing same and their herbicidal use TEIJIN LIMITED (JP) 1987-08-11 US disclosed
US-4685952-A Benzoylaminoalkylenephosphonic acids or esters thereof, herbicidal compositions containing same and their herbicidal use TEIJIN LIMITED (JP) 1987-08-11 US disclosed