SCHEMBL18035914

SCHEMBL18035914

Cc1cc(C)c(C)c(CC(N)C(=O)O)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 5/20 0.47
GRIA3 P42263 5/20 0.47
GRIA4 P48058 4/20 0.47
GRIA2 P42262 3/20 0.47
MAPT P10636 3/20 0.47
GRIK5 Q16478 3/20 0.47
MEN1 O00255 3/20 0.47
CYP2C9 P11712 3/20 0.47
KMT2A Q03164 3/20 0.47
GRIK1 P39086 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
GRIK2 Q13002 1/20 0.47
GRIK3 Q13003 1/20 0.47
GRIK4 Q16099 1/20 0.47
BLM P54132 3/20 0.46

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
SCHEMBL5875640 0.84 GRIA1 (0.53) GRIA1GRIA3GRIA4GRIA2MAPT
SCHEMBL11030460 0.84 GRIA1 (0.53) GRIA1GRIA3GRIA4GRIA2MAPT
SCHEMBL6046222 0.84 GRIA1 (0.53) GRIA1GRIA3GRIA4GRIA2MAPT
SCHEMBL18035912 0.83 SLC7A5 (0.48) GRIA1GRIA3GRIA4GRIA2MAPT
SCHEMBL287393 0.81 SLC7A5 (0.50) GRIA1GRIA3GRIA4GRIA2MAPT
SCHEMBL5323478 0.81 SLC7A5 (0.58) GRIA1GRIA3GRIA4GRIA2MAPT
SCHEMBL5875624 0.81 SLC7A5 (0.50) GRIA1GRIA3GRIA4GRIA2MAPT
SCHEMBL16585559 0.81 SLC7A5 (0.58) GRIA1GRIA3GRIA4GRIA2MAPT
SCHEMBL287394 0.81 SLC7A5 (0.50) GRIA1GRIA3GRIA4GRIA2MAPT
SCHEMBL296690 0.79 SLC7A5 (0.50) MAPTMEN1CYP2C9KMT2AALDH1A1

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-3061753-A1 ENANTIO-SELECTIVE SYNTHESIS OF NON-NATURAL AMINO ACIDS Universita' Degli Studi "G. d'Annunzio" Chieti-Pescara (IT) 2016-08-31 EP disclosed