SCHEMBL9250351

SCHEMBL9250351

CC([CH]O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.45
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 3/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LIPE Q05469 1/20 0.42
HTT P42858 3/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
IDO1 P14902 1/20 0.40
AGXT P21549 1/20 0.39

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
SCHEMBL7228724 0.82 TSHR (0.44) RCE1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL31059717 0.80 TSHR (0.43) RCE1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL4588952 0.80 SLC1A3 (0.47) RCE1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL15077436 0.80 TSHR (0.43) RCE1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL6172748 0.80 SLC1A3 (0.47) RCE1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL6239311 0.80 SLC1A3 (0.47) RCE1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL31453504 0.78 RCE1 (0.44) RCE1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL5139238 0.78 RCE1 (0.44) RCE1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL17386542 0.78 TSHR (0.41) RCE1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL6471384 0.77 TAAR1 (0.41) RCE1SLC1A3SLC1A2SLC1A1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7324092-A None JP disclosed
JP-H07324092-A PRODUCTION OF FOSFOMYCIN DERIVATIVE BY REGIOSELECTIVE CARBON-PHOSPHORUS-PRODUCING REACTION NIPPON SODA CO LTD 1995-12-12 JP disclosed