SCHEMBL9801009

SCHEMBL9801009

COC(=O)[C@H](O)[C@@H](O)[C@H](OCc1ccccc1)[C@@H](O)C=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.45
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RCE1 Q9Y256 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CTSB P07858 2/20 0.39
MIF P14174 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37

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
SCHEMBL11203347 0.86 SLC1A1 (0.48) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL18045628 0.83 LTA4H (0.46) LTA4HSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL10511795 0.82 LTA4H (0.45) LTA4HSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL10740109 0.82 LTA4H (0.45) LTA4HSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL10509257 0.82 LTA4H (0.45) LTA4HSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL10511562 0.82 LTA4H (0.45) LTA4HSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL8102522 0.78 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL535071 0.78 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL3026868 0.78 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL7415448 0.76 KMT2A (0.43) LTA4HSLC1A3SLC1A2SLC1A1KMT2A

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-4987223-A INTERMEDIATES FOR GLYCOSIDE ENZYME SUBSTRATES CHOAY S.A. (FR) 1991-01-22 US disclosed