SCHEMBL3099101

SCHEMBL3099101

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGH Q92820 2/20 0.40
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37
GABRQ Q9UN88 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL3106298 0.90 FPR2 (0.34) FPR2PPARDTSHRPLAU
SCHEMBL3097954 0.88 GGH (0.49) GGHFOLH1RIMKLANAALAD2
SCHEMBL3098098 0.86 FPR2 (0.43) CA12CA1CA9FPR2PPARD
SCHEMBL3100418 0.85 PPARD (0.42) CA12CA1CA9FPR2PPARD
SCHEMBL3097963 0.85 TSHR (0.34) CA12CA1CA9FPR2PPARD
SCHEMBL3091598 0.84 PLAU (0.34) FPR2PPARDTSHRPLAU
SCHEMBL3099111 0.82 CYP1A2 (0.33) CA12CA1CA9HPGDSFPR2
SCHEMBL3102342 0.82 CA2 (0.36) GGHCA1FOLH1FPR2PPARD
SCHEMBL3103505 0.81 PPARD (0.40) CA12CA1CA9FPR2PPARD
SCHEMBL3095596 0.81 CPB2 (0.36) CA12CA1CA9HPGDSFOLH1

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