SCHEMBL7786044

SCHEMBL7786044

CCOc1ccc(C)cc1[C@H](O)[C@@H](C)N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.50
ADRA2A P08913 1/20 0.50
ADRA1A P35348 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPK1 P28482 1/20 0.49
BLM P54132 1/20 0.49
KDM4E B2RXH2 1/20 0.42
MAPT P10636 4/20 0.40
RAB9A P51151 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ATM Q13315 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL5051543 1.00 CYP2D6 (0.50) CYP2D6ADRA2AADRA1AMEN1KMT2A
SCHEMBL7784261 0.84 ADRA2A (0.62) CYP2D6ADRA2AADRA1AMEN1KMT2A
SCHEMBL5055098 0.84 ADRA2A (0.62) CYP2D6ADRA2AADRA1AMEN1KMT2A
SCHEMBL5051458 0.83 ADRA2A (0.71) CYP2D6ADRA2AADRA1AMEN1KMT2A
SCHEMBL7786327 0.83 ADRA2A (0.71) CYP2D6ADRA2AADRA1AMEN1KMT2A
Hydrochloric Acid SCHEMBL9868612 0.83 MEN1 (0.63) CYP2D6ADRA2AADRA1AMEN1KMT2A
Hydrochloric Acid SCHEMBL9869689 0.82 MEN1 (0.71) CYP2D6ADRA2AADRA1AMEN1KMT2A
SCHEMBL9945918 0.79 L3MBTL1 (0.46) ADRA1AMEN1KMT2AMAPK1KDM4E
SCHEMBL5050115 0.78 ALDH1A1 (0.48) CYP2D6ADRA2AADRA1AMEN1KMT2A
SCHEMBL7779145 0.78 ALDH1A1 (0.48) CYP2D6ADRA2AADRA1AMEN1KMT2A

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