SCHEMBL8055385

SCHEMBL8055385

OCCOCc1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADRA2A P08913 3/20 0.40
ADRA2B P18089 3/20 0.40
ADRA2C P18825 3/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GBA1 P04062 1/20 0.40
TSHR P16473 2/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL6041511 0.89 TAAR1 (0.42) ALDH1A1GAASLC1A3SLC1A2SLC1A1
SCHEMBL8906381 0.87 TAAR1 (0.41) ALDH1A1GAASLC1A3SLC1A2SLC1A1
Butyric Acid SCHEMBL28207227 0.83 POLB (0.44) ALDH1A1SLC1A3SLC1A2SLC1A1L3MBTL1
SCHEMBL6733610 0.83 TAAR1 (0.50) ALDH1A1GAASLC1A3SLC1A2SLC1A1
SCHEMBL8905819 0.82 TAAR1 (0.48) ALDH1A1TAAR1L3MBTL1ADRA2AADRA2B
SCHEMBL8905908 0.80 SLC1A3 (0.42) ALDH1A1GAASLC1A3SLC1A2SLC1A1
SCHEMBL7444567 0.80 MAPK1 (0.46) ALDH1A1GAASLC1A3SLC1A2SLC1A1
SCHEMBL9538816 0.79 L3MBTL1 (0.41) ALDH1A1GAASLC1A3SLC1A2SLC1A1
SCHEMBL10689465 0.78 LMNA (0.46) ALDH1A1GAASLC1A3SLC1A2SLC1A1
SCHEMBL20912418 0.78 POLB (0.53) ALDH1A1GAASLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998264-A1 COMPOSITION COMPRISING A LIPOAMINOACID AND A TANNIN-RICH PLANT EXTRACT SOCIETE D'EXPLOITATION DE PRODUITS POUR LES INDUSTRIES CHIMIQUES-SEPPIC (FR) 2000-05-10 EP disclosed
WO-1999000109-A1 COMPOSITION COMPRISING A LIPOAMINOACID AND A TANNIN-RICH PLANT EXTRACT SOCIETE D'EXPLOITATION DE PRODUITS POUR LES INDUSTRIES CHIMIQUES SEPPIC (FR) 1999-01-07 WO disclosed
US-5659065-A CHEMICAL INTERMEDIATES FOR MEDICINAL ACTIVE AGENTS NOVARTIS CORPORATION (US) 1997-08-19 US disclosed
EP-0678500-A1 Alpha-amino alkanoic acids and reduction products as intermediates in the preparation of renin inhibitors CIBA-GEIGY AG (CH) 1995-10-25 EP disclosed