SCHEMBL3098743

SCHEMBL3098743

CCOP(=O)(CN(O)[C@@H](CCC(=O)O)C(=O)O)OCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.35
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRG1 Q8N1C3 2/20 0.34
GABRG3 Q99928 2/20 0.34
GABRQ Q9UN88 2/20 0.34
CYP1A2 P05177 1/20 0.34
GGH Q92820 1/20 0.34
GRM3 Q14832 2/20 0.33

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
SCHEMBL3105927 0.88 GABRP (0.36) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL3098894 0.82 CPB2 (0.33) CYP1A2PPARDTSHRMEN1GAA
SCHEMBL3087485 0.81 GSR (0.37) CYP1A2PPARDMEN1KMT2A
SCHEMBL3100745 0.77 CA12 (0.36) MEN1GAACYP2C9CYP2C19KMT2A
SCHEMBL2991467 0.77 FOLH1 (0.50) FOLH1CYP1A2GGHGRM3NAALAD2
SCHEMBL2991471 0.77 FOLH1 (0.50) FOLH1CYP1A2GGHGRM3NAALAD2
SCHEMBL3103459 0.75 CA12 (0.35) MEN1GAACYP2C9CYP2C19KMT2A
SCHEMBL4655463 0.75 CYP1A2 (0.45) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL7701636 0.75 CYP1A2 (0.45) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL3102609 0.74 CA12 (0.37) FOLH1MEN1GAACYP2C9CYP2C19

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
US-20100247463-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2010-09-30 US claimed