SCHEMBL3102486

SCHEMBL3102486

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 6/20 0.44
TSHR P16473 1/20 0.34
PPARD Q03181 1/20 0.34
ENPEP Q07075 2/20 0.34
PLAU P00749 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CA2 P00918 3/20 0.30
CA1 P00915 2/20 0.30
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL3098905 0.87 FPR2 (0.45) FPR2TSHRPPARDALDH1A1L3MBTL1
SCHEMBL3097313 0.87 TSHR (0.36) FPR2TSHRPPARDPLAUALDH1A1
SCHEMBL3100652 0.86 TSHR (0.35) FPR2TSHRPPARDPLAUCA2
SCHEMBL3097247 0.80 ENPEP (0.37) FPR2ENPEPALDH1A1L3MBTL1CA2
SCHEMBL3097239 0.80 ENPEP (0.37) FPR2ENPEPALDH1A1L3MBTL1CA2
SCHEMBL3109175 0.80 TSHR (0.39) FPR2TSHRPPARDPLAUALDH1A1
SCHEMBL3097993 0.76 ALDH1A1 (0.46) FPR2TSHRPPARDALDH1A1CA2
SCHEMBL3103058 0.75 FPR2 (0.44) FPR2TSHRPPARDPLAUCA1
SCHEMBL3103505 0.74 PPARD (0.40) FPR2TSHRPPARDPLAUCA2
SCHEMBL3095559 0.74 ALDH1A1 (0.38) FPR2TSHRPPARDALDH1A1CA2

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