SCHEMBL7063882

SCHEMBL7063882

CC(NCCO)[C@@H](O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.58
CYP2C19 P33261 3/20 0.58
ADRA1A P35348 3/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
CHRM2 P08172 1/20 0.58
RGS12 O14924 1/20 0.58
GLA P06280 1/20 0.58
PKM P14618 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
ALOX12 P18054 1/20 0.58
ADRA2C P18825 1/20 0.58
NFKB1 P19838 1/20 0.58
HTR2A P28223 1/20 0.58
THPO P40225 1/20 0.58
GNAI1 P63096 1/20 0.58
HSD17B10 Q99714 1/20 0.58
LMNA P02545 5/20 0.57
KMT2A Q03164 3/20 0.56

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
SCHEMBL6058534 1.00 CYP2D6 (0.58) CYP2D6CYP2C19ADRA1ACYP3A4CYP2C9
SCHEMBL22461952 0.85 CYP2D6 (0.58) CYP2D6CYP2C19ADRA1ACYP3A4CYP2C9
SCHEMBL20689716 0.85 CYP2D6 (0.58) CYP2D6CYP2C19ADRA1ACYP3A4CYP2C9
SCHEMBL20689721 0.85 CYP2D6 (0.58) CYP2D6CYP2C19ADRA1ACYP3A4CYP2C9
SCHEMBL13990579 0.85 CYP2D6 (0.58) CYP2D6CYP2C19ADRA1ACYP3A4CYP2C9
SCHEMBL25833835 0.85 CYP2D6 (0.62) CYP2D6CYP2C19ADRA1ACYP3A4CYP2C9
SCHEMBL19647113 0.85 CYP2D6 (0.62) CYP2D6CYP2C19ADRA1ACYP3A4CYP2C9
SCHEMBL19113832 0.84 CYP2D6 (0.56) CYP2D6CYP2C19ADRA1ACYP3A4CYP2C9
SCHEMBL11299290 0.82 ALDH1A1 (0.60) CYP2D6CYP2C19ADRA1ACYP3A4CYP2C9
SCHEMBL5076478 0.82 LMNA (0.69) CYP2D6CYP2C19ADRA1ACYP3A4CYP2C9

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
CN-1275995-C Polyurethane dispersion based on fatty acid dialkyl alochol amide BAYER AG (DE) 2006-09-20 CN disclosed
US-6710120-B2 WITH THE AIM OF LOWERING THE EMISSIONS OF ORGANIC SOLVENTS, AQUEOUS COATING COMPOSITIONS ARE INCREASINGLY BEING USED IN PLACE OF SOLVENT-BORNE SYSTEMS BAYER AKTIENGESELLSCHAFT (DE) 2004-03-23 US disclosed
CN-1451672-A Polyurethane dispersion based on fatty acid dialkyl alochol amide BAYER AG (DE) 2003-10-29 CN disclosed
US-20030191273-A1 Polyurethane dispersions based on fatty acid dialkanolamides COVESTRO DEUTSCHLAND AG (DE) 2003-10-09 US disclosed