SCHEMBL7862921

SCHEMBL7862921

CONC(C)c1cccc(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 8/20 0.59
POLB P06746 1/20 0.52
AOC3 Q16853 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ROCK2 O75116 3/20 0.48
ROCK1 Q13464 3/20 0.48
PRKG1 Q13976 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
SLC6A2 P23975 1/20 0.48
HRH2 P25021 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HRH1 P35367 1/20 0.48

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
SCHEMBL10305652 0.85 CASR (0.59) CASRPOLBAOC3MEN1KMT2A
SCHEMBL410129 0.85 CASR (0.59) CASRPOLBAOC3MEN1KMT2A
SCHEMBL19286306 0.85 CASR (0.59) CASRPOLBAOC3MEN1KMT2A
SCHEMBL8285877 0.85 CASR (0.59) CASRPOLBAOC3MEN1KMT2A
SCHEMBL413322 0.85 CASR (0.59) CASRPOLBAOC3MEN1KMT2A
SCHEMBL7903255 0.83 CASR (0.58) CASRPOLBAOC3MEN1KMT2A
SCHEMBL12870263 0.83 CASR (0.58) CASRPOLBAOC3MEN1KMT2A
SCHEMBL14438388 0.83 CASR (0.58) CASRPOLBAOC3MEN1KMT2A
SCHEMBL28508849 0.83 CASR (0.58) CASRPOLBAOC3MEN1KMT2A
SCHEMBL13740795 0.83 CASR (0.58) CASRPOLBAOC3MEN1KMT2A

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-0736509-B1 Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL CO (JP) 2001-11-14 EP disclosed
US-6025531-A REACTING A PROCHIRAL KETONE WITH A MIXTURE BORON-CONTAINING COMPOUNDS HAVING A BORANE REACTION PRODUCT FROM OPTICALLY ACTIVE BETA-AMINOALCOHOL AND A BORON HYDRIDE OR A METAL BOROHYDRIDE, AND AN OPTICALLY ACTIVE OXAZABOROLIDINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-15 US disclosed
US-5801280-A Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-09-01 US disclosed
EP-0736509-A2 Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-09 EP disclosed