SCHEMBL9168331

SCHEMBL9168331

C[C@@H](OC(=O)COc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.56
ALOX15 P16050 1/20 0.53
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.46
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL10771802 1.00 MAPT (0.62) MAPTL3MBTL1ALOX15ALDH1A1NPC1
SCHEMBL272026 0.86 MAPT (0.81) MAPTL3MBTL1ALOX15ALDH1A1NPC1
SCHEMBL11649910 0.83 MAPT (0.62) MAPTL3MBTL1ALOX15ALDH1A1NPC1
SCHEMBL28122337 0.83 MAPT (0.62) MAPTL3MBTL1ALOX15ALDH1A1NPC1
SCHEMBL28425776 0.81 MAPT (0.60) MAPTL3MBTL1ALOX15ALDH1A1NPC1
SCHEMBL13784551 0.81 MAPT (0.60) MAPTL3MBTL1ALOX15ALDH1A1NPC1
SCHEMBL20299545 0.81 MAPT (0.60) MAPTL3MBTL1ALOX15ALDH1A1NPC1
SCHEMBL5267824 0.81 MAPT (0.60) MAPTL3MBTL1ALOX15ALDH1A1NPC1
SCHEMBL11613509 0.81 MAPT (0.52) MAPTL3MBTL1ALOX15ALDH1A1NPC1
SCHEMBL8544797 0.80 MAPT (0.59) MAPTL3MBTL1ALOX15ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0382220-B1 Method for preparing aminothiazolylacetic acid derivatives MEIJI SEIKA KAISHA (JP) 1995-06-28 EP disclosed
EP-0227953-B1 NEW CEPHALOSPORIN DERIVATIVES AND ANTIBIOTICS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 1993-02-03 EP disclosed
EP-0382220-A2 Method for preparing aminothiazolylacetic acid derivatives MEIJI SEIKA KAISHA LTD. (JP) 1990-08-16 EP disclosed
US-4898858-A Cephalosporin derivatives and antibiotics containing the same MEIJI SEIKA KAISHA LTD. (JP) 1990-02-06 US disclosed
EP-0227953-A2 New cephalosporin derivatives and antibiotics containing the same MEIJI SEIKA KAISHA LTD. (JP) 1987-07-08 EP disclosed