SCHEMBL11025934

SCHEMBL11025934

O=C(OCc1ccccc1)C(Cl)COCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
SLC1A1 P43005 1/20 0.53
CA1 P00915 4/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
TSHR P16473 1/20 0.47
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
TACR1 P25103 2/20 0.44
FOLH1 Q04609 1/20 0.43

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
SCHEMBL809341 0.89 LMNA (0.49) ALDH1A1SLC1A1CA1CA2CA7
SCHEMBL31532269 0.87 ALDH1A1 (0.47) ALDH1A1SLC1A1CA1CA2CA7
SCHEMBL31532270 0.87 ALDH1A1 (0.47) ALDH1A1SLC1A1CA1CA2CA7
SCHEMBL809052 0.86 SLC1A1 (0.55) ALDH1A1SLC1A1CA1CA2CA7
SCHEMBL809237 0.84 SLC1A1 (0.54) ALDH1A1SLC1A1CA1CA2CA7
SCHEMBL809091 0.84 SLC1A1 (0.54) ALDH1A1SLC1A1CA1CA2CA7
SCHEMBL5551683 0.84 ALDH1A1 (0.52) ALDH1A1SLC1A1CA1CA2CA7
Hydrochloric Acid SCHEMBL5551687 0.84 SLC1A1 (0.54) ALDH1A1SLC1A1CA1CA2CA7
SCHEMBL8784388 0.84 ALDH1A1 (0.60) ALDH1A1CA1CA2CA9TDP1
SCHEMBL11031730 0.84 SLC1A1 (0.45) ALDH1A1SLC1A1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0074488-B1 2-AZIDO-3-BENZYLOXY-PROPIONIC-ACID BENZYL ESTER, PROCESS FOR ITS PREPARATION AND ITS USE Degussa Aktiengesellschaft (DE) 1985-04-03 EP claimed
US-4440686-A 2-Azido-3-benzyloxy-propionic acid-benzyl ester, process for its production and its use DEGUSSA AKTIENGESELLSCHAFT (DE) 1984-04-03 US claimed
EP-0074488-A1 2-Azido-3-benzyloxy-propionic-acid benzyl ester, process for its preparation and its use Degussa Aktiengesellschaft (DE) 1983-03-23 EP claimed
EP-0074488-B1 2-AZIDO-3-BENZYLOXY-PROPIONIC-ACID BENZYL ESTER, PROCESS FOR ITS PREPARATION AND ITS USE Degussa Aktiengesellschaft (DE) 1985-04-03 EP disclosed
US-4440686-A 2-Azido-3-benzyloxy-propionic acid-benzyl ester, process for its production and its use DEGUSSA AKTIENGESELLSCHAFT (DE) 1984-04-03 US disclosed
US-4440686-A 2-Azido-3-benzyloxy-propionic acid-benzyl ester, process for its production and its use DEGUSSA AKTIENGESELLSCHAFT (DE) 1984-04-03 US disclosed
EP-0074488-A1 2-Azido-3-benzyloxy-propionic-acid benzyl ester, process for its preparation and its use Degussa Aktiengesellschaft (DE) 1983-03-23 EP disclosed
EP-0074488-A1 2-Azido-3-benzyloxy-propionic-acid benzyl ester, process for its preparation and its use Degussa Aktiengesellschaft (DE) 1983-03-23 EP disclosed