SCHEMBL8632759

SCHEMBL8632759

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

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.32

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
SCHEMBL7212875 0.92 CYP2A6 (0.32) CYP2A6
SCHEMBL3225191 0.92 CYP2A6 (0.32) CYP2A6
SCHEMBL55697 0.82 KDM4E (0.34) CYP2A6
SCHEMBL4608629 0.81 KDM4E (0.33) CYP2A6
Cyclohexane SCHEMBL8638010 0.80 KDM4E (0.32) CYP2A6
SCHEMBL4925150 0.77 PDGFRB (0.34) CYP2A6
SCHEMBL4622730 0.77 KDM4E (0.33)
SCHEMBL1246522 0.76 KDM4E (0.36) CYP2A6
SCHEMBL4926350 0.74 FLT3 (0.34) CYP2A6
Cyclohexylamine SCHEMBL1254606 0.74 SMYD3 (0.32)

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-0515698-B1 Process for producing D-alpha-amino acids KANEGAFUCHI CHEMICAL IND (JP) 1998-07-29 EP disclosed
US-5695968-A CONVERTING D-N-CARBAMOYL-AMINO ACID BY REMOVING CARBAMOYL GROUP USING A GENETIC EXPRESSED ENZYME KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1997-12-09 US disclosed
US-5565344-A MICROORGANISM INCLUDING RECOMBINANT DNA COMPRISING VECTOR DNA AND DNA FRAGMENT HAVING GENE ENCODING ENZYME CAPABLE OF CONVERTING D-N-CARBAMOYL-ALPHA-AMINO ACIDS INTO CORRESPONDING AMINO ACIDS KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-10-15 US disclosed
EP-0515698-A1 PROCESS FOR PRODUCING D-$g(a)-AMINO ACID KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-12-02 EP disclosed