SCHEMBL3098722

SCHEMBL3098722

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 7/20 0.43
TSHR P16473 1/20 0.36
PPARD Q03181 1/20 0.36
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GGH Q92820 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.32
TGFBR1 P36897 1/20 0.32

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
SCHEMBL3091741 0.89 PPARD (0.43) FPR2TSHRPPARDGGHMAPT
SCHEMBL3109219 0.87 FPR2 (0.34) FPR2TSHRPPARDGGHMAPT
SCHEMBL3097954 0.87 GGH (0.49) GGHFOLH1
SCHEMBL3098098 0.85 FPR2 (0.43) FPR2TSHRPPARDCA12CA1
SCHEMBL3094248 0.85 PPARD (0.41) FPR2TSHRPPARDMAPTMAPK1
SCHEMBL3105822 0.84 FOLH1 (0.37) FPR2TSHRPPARDCA12CA1
SCHEMBL3094655 0.84 FPR2 (0.36) FPR2TSHRPPARDGGHMAPT
SCHEMBL3101487 0.84 ALDH1A1 (0.40) FPR2MAPK1CA12CA1CA2
SCHEMBL3102342 0.84 CA2 (0.36) FPR2TSHRPPARDGGHCA1
SCHEMBL3101417 0.83 CA2 (0.40) FPR2TSHRPPARDGGHMAPT

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