SCHEMBL5708337

SCHEMBL5708337

CO[C@@H]1CN[C@H](CO[C@H]2CC[C@H](C(=O)O)CC2)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.33
PLG P00747 1/20 0.31
PLAT P00750 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
ITGB1 P05556 2/20 0.31
ITGA4 P13612 2/20 0.31
CTSC P53634 1/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
TSHR P16473 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 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
SCHEMBL14263800 1.00 HCRTR2 (0.33) HCRTR2PLGPLATLMNACYP1A2
SCHEMBL14592460 0.87 CHRNB2 (0.37) HCRTR2CTSC
SCHEMBL14592124 0.87 CHRNB2 (0.37) HCRTR2CTSC
SCHEMBL4810028 0.86 MAPT (0.38) CYP2D6CYP2C19
SCHEMBL4810022 0.86 MAPT (0.38) CYP2D6CYP2C19
SCHEMBL92509 0.82 PLG (0.33) PLGPLATLMNACYP1A2CYP2D6
SCHEMBL92381 0.82 PLG (0.33) PLGPLATLMNACYP1A2CYP2D6
SCHEMBL14254447 0.80 HCRTR2 (0.31) HCRTR2
SCHEMBL14254431 0.80 HCRTR2 (0.31) HCRTR2
SCHEMBL14263808 0.79

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
EP-1698611-A1 PROCESS FOR PRODUCING PHENYLACETIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP disclosed