SCHEMBL3101425

SCHEMBL3101425

CCOP(=O)(CN[C@@H](CCc1ccccc1)C(=O)O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.46
FPR2 P25090 1/20 0.45
ACE P12821 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
GGT1 P19440 1/20 0.44
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.43
PRSS1 P07477 2/20 0.41
CTSG P08311 2/20 0.41
CTRB1 P17538 2/20 0.41
CMA1 P23946 2/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.41
ANPEP P15144 2/20 0.40
ERAP1 Q9NZ08 2/20 0.40
ERAP2 Q6P179 1/20 0.40

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
SCHEMBL3102568 0.90 FPR2 (0.43) FPR2SMN1; SMN2MEN1HTTKMT2A
SCHEMBL3103119 0.88 FPR2 (0.54) MMEFPR2ACEMEN1KMT2A
SCHEMBL2995625 0.81 ANPEP (0.53) MMEACEGGT1MEN1KMT2A
SCHEMBL2995623 0.81 ANPEP (0.53) MMEACEGGT1MEN1KMT2A
SCHEMBL3098722 0.81 FPR2 (0.43) FPR2TSHRMAPTMAPK1
SCHEMBL3098284 0.80 FPR2 (0.52) FPR2MAPTMAPK1GAAERAP1
SCHEMBL3091741 0.80 PPARD (0.43) FPR2TSHRMAPTMAPK1
SCHEMBL2208436 0.79 MME (0.55) MMEACESMN1; SMN2GGT1MEN1
SCHEMBL2208433 0.79 MME (0.55) MMEACESMN1; SMN2GGT1MEN1
SCHEMBL3098144 0.79 ITGB2 (0.47) ACESMN1; SMN2MEN1KMT2ATSHR

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