SCHEMBL11216320

SCHEMBL11216320

C[C@H](O)c1ccc(C(=O)O)c([C@H](C)O)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 2/20 0.39
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 1/20 0.37
GRM1 Q13255 1/20 0.37
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
METAP2 P50579 1/20 0.36
KDM5A P29375 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
ALOX15 P16050 1/20 0.32
LDHA P00338 2/20 0.32
LDHB P07195 2/20 0.32
ALB P02768 1/20 0.32
SELL P14151 1/20 0.31
SELP P16109 1/20 0.31
MAPT P10636 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
CDC25A P30304 1/20 0.31
CDC25B P30305 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL5695480 1.00 ACE2 (0.39) ACE2ALDH1A1CYP1A2GRM1FABP3
SCHEMBL1047111 0.85 ACE2 (0.39) ACE2ALDH1A1CYP1A2GRM1FABP3
SCHEMBL728753 0.82 CYP1A2 (0.48) ACE2ALDH1A1CYP1A2GRM1KDM5A
SCHEMBL6444165 0.76 ACE2 (0.38) ACE2ALDH1A1CYP1A2GRM1FABP3
SCHEMBL10922833 0.76 ALDH1A1 (0.43) ALDH1A1ALOX15MAPTHDAC8CDC25B
SCHEMBL27323047 0.75 METAP2 (0.38) ACE2ALDH1A1CYP1A2GRM1FABP3
SCHEMBL17797821 0.74 ALDH1A1 (0.38) ACE2ALDH1A1CYP1A2GRM1FABP3
SCHEMBL6445692 0.74 ACE2 (0.39) ACE2ALDH1A1CYP1A2GRM1FABP3
SCHEMBL3079818 0.74 KDM5B (0.37) ACE2ALDH1A1CYP1A2GRM1FABP3
SCHEMBL6444223 0.74 ACE2 (0.36) ACE2ALDH1A1CYP1A2GRM1FABP3

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-0079197-A2 Polymer compositions Saegusa, Takeo (JP) 1983-05-18 EP disclosed