SCHEMBL7212875

SCHEMBL7212875

O=C[C@H](O)[C@@H](Oc1cc2ccccc2[nH]1)[C@H](OCl)[C@@H](CO)OBr

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL3225191 1.00 CYP2A6 (0.32) CYP2A6KDM4EALDH1A1
SCHEMBL8632759 0.92 CYP2A6 (0.32) CYP2A6
SCHEMBL4622730 0.85 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL55697 0.84 KDM4E (0.34) CYP2A6KDM4E
SCHEMBL4608629 0.83 KDM4E (0.33) CYP2A6KDM4E
Cyclohexane SCHEMBL8638010 0.82 KDM4E (0.32) CYP2A6KDM4EALDH1A1
SCHEMBL4925150 0.77 PDGFRB (0.34) CYP2A6KDM4E
SCHEMBL1246522 0.76 KDM4E (0.36) CYP2A6KDM4E
Cyclohexylamine SCHEMBL1254606 0.76 SMYD3 (0.32) KDM4EALDH1A1
SCHEMBL4926350 0.74 FLT3 (0.34) CYP2A6KDM4EALDH1A1

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-0673427-B1 ENZYMATIC PROCESS USING ENZYMES IMMOBILIZED ON THE CELL WALL OF A EUKARYOTIC MICROBIAL CELL BY PRODUCING A FUSION PROTEIN UNILEVER PLC (GB) 2003-04-02 EP disclosed
EP-1293571-A2 Process for immobilizing enzymes to the cell wall of a microbial cell by producing a fusion protein UNILEVER N.V. (NL) 2003-03-19 EP disclosed
US-6027910-A ENZYME IS IMMOBILIZED BY LINKING IT TO THE C-TERMINAL PART OF A PROTEIN THAT ENSURES ANCHORING IN THE CELL WALL; FUNGUS USEFUL FOR CARRYING OUT ENZYMATIC PROCESS ON AN INDUSTRIAL SCALE UNILEVER PATENT HOLDINGS B.V. (NL) 2000-02-22 US disclosed
EP-0673427-A1 PROCESS FOR IMMOBILIZING ENZYMES TO THE CELL WALL OF A MICROBIAL CELL BY PRODUCING A FUSION PROTEIN UNILEVER PLC (GB) 1995-09-27 EP disclosed
WO-1994001567-A1 PROCESS FOR IMMOBILIZING ENZYMES TO THE CELL WALL OF A MICROBIAL CELL BY PRODUCING A FUSION PROTEIN UNILEVER N.V. (NL) 1994-01-20 WO disclosed