SCHEMBL10885121

SCHEMBL10885121

O=C(CO[PH](=O)OCC(=O)Cn1cncn1)Cn1cncn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.42
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FDPS P14324 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL5899076 0.80 EGLN3 (0.55) EGLN3MAPTHTTCYP1A2CYP3A4
SCHEMBL8926508 0.76 EGLN3 (0.42) EGLN3MAPTHTTSMN1; SMN2FDPS
SCHEMBL4291631 0.73 EGLN3 (0.48) EGLN3MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL22234971 0.73 EGLN3 (0.48) EGLN3MAPTHTTCYP1A2CYP3A4
SCHEMBL7765796 0.72
SCHEMBL7104938 0.70 EGLN3 (0.50) EGLN3MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL10465846 0.70 MAPT (0.53) MAPTHTTLMNAPKM
SCHEMBL8926510 0.69 EGLN3 (0.44) EGLN3MAPTHTTSMN1; SMN2LMNA
SCHEMBL10882663 0.69 FDPS (0.53) EGLN3MAPTHTTFDPS
SCHEMBL10900681 0.69 EGLN3 (0.49) EGLN3MAPTCYP1A2CYP3A4CYP2D6

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
EP-0078613-B1 SUBSTITUTED PROPYL PHOSPHONIC ACID DERIVATIVES, THEIR USE AS HERBICIDES, HERBICIDAL COMPOSITIONS CONTAINING THEM, AND METHODS OF PREPARING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-10-01 EP disclosed
US-4439428-A 1,2,4-TRIAZOL-1-YL-ALKYLENE PHOSPHONIC ACIDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-03-27 US disclosed