SCHEMBL6235327

SCHEMBL6235327

C[C@H](NCc1ccc(C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
PPARA Q07869 3/20 0.51
EPHX2 P34913 1/20 0.51
PPARG P37231 1/20 0.51
TMEM97 Q5BJF2 4/20 0.50
KCNH2 Q12809 3/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
FFAR1 O14842 1/20 0.48
PPARD Q03181 1/20 0.47
LSS P48449 1/20 0.47
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
ITGB1 P05556 1/20 0.46
ITGA5 P08648 1/20 0.46
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45
MAPK14 Q16539 1/20 0.45
MTOR P42345 1/20 0.44

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
SCHEMBL6236404 0.85 EPHX2 (0.53) EPHX2MEN1KMT2AITGB1ITGA5
Hydrochloric Acid SCHEMBL5967318 0.84 ALDH1A1 (0.55) ALDH1A1TMEM97KCNH2MEN1KMT2A
SCHEMBL29176938 0.82 EPHX2 (0.56) ALDH1A1PPARAEPHX2PPARGTMEM97
Tisolagiline SCHEMBL21436117 0.82 SCN9A (0.53) ALDH1A1TMEM97KCNH2
Tisolagiline SCHEMBL19479108 0.82 SCN9A (0.53) ALDH1A1TMEM97KCNH2
Tisolagiline SCHEMBL19479181 0.82 SCN9A (0.53) ALDH1A1TMEM97KCNH2
SCHEMBL6241638 0.81 MAPK1 (0.55) ALDH1A1MEN1KMT2AITGB1ITGA5
SCHEMBL28594958 0.81 MAPK1 (0.55) ALDH1A1MEN1KMT2AITGB1ITGA5
SCHEMBL6238643 0.80 SMN1; SMN2 (0.53) ALDH1A1MEN1KMT2AFFAR1PDCD1
SCHEMBL9781250 0.79 ALDH1A1 (0.69) ALDH1A1TMEM97KCNH2MEN1KMT2A

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