SCHEMBL7786253

SCHEMBL7786253

COc1ccccc1[C@H](O)[C@@H](C)N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.64
CYP2D6 P10635 1/20 0.64
ADRA1A P35348 1/20 0.64
MEN1 O00255 1/20 0.62
MAPK1 P28482 1/20 0.62
BLM P54132 1/20 0.62
KMT2A Q03164 1/20 0.62
ADRA2C P18825 1/20 0.50
LMNA P02545 1/20 0.50
HIF1A Q16665 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.48
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL5051465 1.00 ADRA2A (0.64) ADRA2ACYP2D6ADRA1AMEN1MAPK1
Hydrochloric Acid SCHEMBL9869260 0.98 MEN1 (0.65) ADRA2ACYP2D6ADRA1AMEN1MAPK1
SCHEMBL7259231 0.87 CA1 (0.60) CYP2D6MAPK1LMNAKDM4EALDH1A1
SCHEMBL8782138 0.85 ADRA2A (0.47) ADRA2ACYP2D6ADRA1AMEN1MAPK1
SCHEMBL2046443 0.83 CA1 (0.50) ADRA2ACYP2D6ADRA1AMEN1MAPK1
SCHEMBL7779145 0.83 ALDH1A1 (0.48) ADRA2ACYP2D6ADRA1AMEN1MAPK1
SCHEMBL8782184 0.83 ADRA2A (0.50) ADRA2ACYP2D6ADRA1AMEN1MAPK1
SCHEMBL5050115 0.83 ALDH1A1 (0.48) ADRA2ACYP2D6ADRA1AMEN1MAPK1
SCHEMBL334556 0.83 CA1 (0.55) ADRA2ACYP2D6ADRA1AMEN1MAPK1
SCHEMBL21377269 0.83 CA1 (0.55) ADRA2ACYP2D6ADRA1AMEN1MAPK1

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