SCHEMBL9545901

SCHEMBL9545901

O=C(O)[C@@H](Cc1ccc(P(=O)(O)O)cc1)NC(F)F

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.43
PTPN1 P18031 3/20 0.42
ECE1 P42892 3/20 0.39
ALDH1A1 P00352 1/20 0.38
CA2 P00918 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3705739 1.00 MME (0.43) MMEPTPN1ECE1ALDH1A1CA2
SCHEMBL3705736 1.00 MME (0.43) MMEPTPN1ECE1ALDH1A1CA2
Butane SCHEMBL7866008 0.94 MME (0.40) MMEPTPN1ECE1L3MBTL1
SCHEMBL7367519 0.82 MME (0.46) MMEPTPN1ECE1ALDH1A1CA2
SCHEMBL7364721 0.81 PTPN1 (0.43) MMEPTPN1L3MBTL1
SCHEMBL18129829 0.81 PTPN1 (0.43) MMEPTPN1L3MBTL1
SCHEMBL852956 0.81 PTPN1 (0.43) MMEPTPN1L3MBTL1
SCHEMBL9847993 0.81 FOLH1 (0.54) MMECA2L3MBTL1
SCHEMBL9847998 0.81 FOLH1 (0.54) MMECA2L3MBTL1
SCHEMBL3506387 0.80 MME (0.58) MMEALDH1A1L3MBTL1

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
WO-1993025561-A1 PHOSPHONOALKYL PHENYLALANINE COMPOUNDS SUITABLY PROTECTED FOR USE IN PEPTIDE SYNTHESIS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1993-12-23 WO claimed