SCHEMBL10784226

SCHEMBL10784226

O=C(NCO[PH](=O)OCNC(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CA3 P07451 2/20 0.45
CA5A P35218 2/20 0.45
CA5B Q9Y2D0 2/20 0.45
CA2 P00918 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA12 O43570 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
EPHX1 P07099 1/20 0.42
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
MTNR1A P48039 3/20 0.30

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
SCHEMBL10784229 0.85 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL3433785 0.76 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL13861685 0.73 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL67884 0.72 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL10137983 0.70 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL3950068 0.70 KDM4E (0.39) ALDH1A1CA2MTNR1AMTNR1B
SCHEMBL7510072 0.70 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL27398724 0.70 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL10137981 0.69 MEN1 (0.58) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL27889238 0.69 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0130008-B1 METHOD FOR PREPARATION OF N-PHOSPHONOMETHYLGLYCINE STAUFFER CHEMICAL COMPANY (US) 1987-09-09 EP disclosed