SCHEMBL7786327

SCHEMBL7786327

COc1ccc(C)cc1[C@H](O)[C@@H](C)N

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.71
ADRA1A P35348 2/20 0.71
CYP2D6 P10635 1/20 0.71
MEN1 O00255 1/20 0.69
MAPK1 P28482 1/20 0.69
BLM P54132 1/20 0.69
KMT2A Q03164 1/20 0.69
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
ACHE P22303 2/20 0.47
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
LPAR1 Q92633 3/20 0.40

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
SCHEMBL5051458 1.00 ADRA2A (0.71) ADRA2AADRA1ACYP2D6MEN1MAPK1
Hydrochloric Acid SCHEMBL9869689 0.98 MEN1 (0.71) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL18793769 0.85 ACHE (0.54) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL7786044 0.83 CYP2D6 (0.50) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL5051543 0.83 CYP2D6 (0.50) ADRA2AADRA1ACYP2D6MEN1MAPK1
Methoxamine SCHEMBL146222 0.83 ADRA1A (1.00) ADRA2AADRA1ACYP2D6MEN1MAPK1
Methoxamine SCHEMBL4258100 0.83 ADRA1A (1.00) ADRA2AADRA1ACYP2D6MEN1MAPK1
Methoxamine SCHEMBL4258097 0.83 ADRA1A (1.00) ADRA2AADRA1ACYP2D6MEN1MAPK1
Methoxamine SCHEMBL1043727 0.83 ADRA1A (1.00) ADRA2AADRA1ACYP2D6MEN1MAPK1
Methoxamine SCHEMBL7786034 0.83 ADRA1A (1.00) ADRA2AADRA1ACYP2D6MEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 EP disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 EP disclosed