SCHEMBL6237751

SCHEMBL6237751

C[C@H](NCc1c(F)c(F)c(F)c(F)c1F)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.35
CD274 Q9NZQ7 5/20 0.34
PDCD1 Q15116 1/20 0.33
LMNA P02545 1/20 0.33
MME P08473 1/20 0.33
ITGB1 P05556 1/20 0.32
ITGA5 P08648 1/20 0.32
FOLH1 Q04609 1/20 0.32
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL11371582 0.73 CD274 (0.39) NR4A2SMN1; SMN2CD274PDCD1ALDH1A1
SCHEMBL30170212 0.72 CD274 (0.44) NR4A2CD274PDCD1
SCHEMBL28594958 0.72 MAPK1 (0.55) LMNAMMEITGB1ITGA5MAPK1
SCHEMBL29141118 0.72 CD274 (0.44) NR4A2CD274PDCD1
SCHEMBL6241638 0.72 MAPK1 (0.55) LMNAMMEITGB1ITGA5MAPK1
SCHEMBL28047824 0.72 CD274 (0.41) NR4A2CD274PDCD1
SCHEMBL6241008 0.69 SCN9A (0.50) NR4A2SMN1; SMN2LMNAALDH1A1
SCHEMBL4316479 0.68 SMN1; SMN2 (0.36) SMN1; SMN2PKMLMNAMMEALDH1A1
SCHEMBL16017645 0.68 GABRR1 (0.38) NR4A2SMN1; SMN2PKMFOLH1
SCHEMBL4316481 0.68 SMN1; SMN2 (0.36) SMN1; SMN2PKMLMNAMMEALDH1A1

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-1311259-B1 PHARMACEUTICAL COMPOSITION COMPRISING AN ESTER OF 5-AMINOLEVULINIC ACID AS PHOTOCHEMOTHERAPEUTIC AGENT AND A MUCOADHESIVE AGENT PHOTOCURE ASA (NO) 2005-06-15 EP claimed