SCHEMBL1922366

SCHEMBL1922366

COCCN(C(=O)O)c1ccc(B2OCC(C)(C)CO2)cn1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.33
HSD17B10 Q99714 4/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.32
SNCA P37840 1/20 0.32
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL4165231 0.79 SNCA (0.32) DGAT1SNCA
SCHEMBL1920711 0.72 GBA1 (0.44) DGAT1HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL1180748 0.71 TTK (0.37) DGAT1SNCA
SCHEMBL2099862 0.71 DGAT1 (0.34) DGAT1
SCHEMBL4165224 0.70 CXCR4 (0.34) DGAT1KDM4EHPGDRAB9ASNCA
SCHEMBL5624405 0.67 LIPG (0.42) DGAT1
SCHEMBL31081894 0.67 DGAT1 (0.43) DGAT1
SCHEMBL1922368 0.67 PDCD1 (0.31)
SCHEMBL14674020 0.65 SNCA (0.36) RAB9ASNCA
SCHEMBL17593398 0.64 FFAR4 (0.40) SNCA

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-1981854-B1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-01 EP disclosed