SCHEMBL3098098

SCHEMBL3098098

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 8/20 0.43
TSHR P16473 1/20 0.35
PPARD Q03181 1/20 0.35
PLAU P00749 1/20 0.33
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
METAP1 P53582 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
SCHEMBL3100418 0.89 PPARD (0.42) FPR2TSHRPPARDPLAUCA1
SCHEMBL3091598 0.88 PLAU (0.34) FPR2TSHRPPARDPLAU
SCHEMBL3106298 0.88 FPR2 (0.34) FPR2TSHRPPARDPLAU
SCHEMBL3099101 0.86 GGH (0.40) FPR2TSHRPPARDPLAUCA1
SCHEMBL3099111 0.86 CYP1A2 (0.33) FPR2TSHRPPARDPLAUCA1
SCHEMBL3098722 0.85 FPR2 (0.43) FPR2TSHRPPARDCA1CA2
SCHEMBL3103505 0.85 PPARD (0.40) FPR2TSHRPPARDPLAUCA1
SCHEMBL3095596 0.85 CPB2 (0.36) FPR2TSHRPPARDCA1CA12
SCHEMBL3087428 0.85 CA12 (0.37) FPR2TSHRPPARDPLAUCA1
SCHEMBL3097947 0.84 TSHR (0.35) FPR2TSHRPPARDPLAUCA1

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