SCHEMBL3383201

SCHEMBL3383201

C=C(Cc1nccn1CCO)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TBXAS1 P24557 2/20 0.34
FPR2 P25090 1/20 0.34
ALPG P10696 2/20 0.33
ARG1 P05089 1/20 0.33
PLAA Q9Y263 1/20 0.33
ALPL P05186 1/20 0.33
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32

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
SCHEMBL28120475 0.85 ESR1 (0.41) ESR1SMN1; SMN2FPR2ALPGARG1
Glycine SCHEMBL28141302 0.79 ESR1 (0.37) ESR1SMN1; SMN2FPR2ALPGARG1
SCHEMBL17865370 0.75 KCNH2 (0.41) ESR1SMN1; SMN2FPR2ALPGPLAA
SCHEMBL20425451 0.73 KCNH2 (0.42) FPR2ALPGPLAAALPLCCNE1
SCHEMBL8382367 0.73 KCNH2 (0.34) ALPGPLAAALPL
SCHEMBL23053790 0.72 KCNH2 (0.33) FPR2ALPGPLAAALPLCCNE1
SCHEMBL26196840 0.72 ALPG (0.48) FPR2ALPGPLAAALPL
Bromide SCHEMBL18979889 0.72 KCNH2 (0.41) FPR2ALPGPLAAALPLCCNE1
SCHEMBL2519188 0.71 FPR2 (0.31) FPR2ALPGPLAACCNE1CDK2
Quinoline SCHEMBL27934280 0.71 ALDH1A1 (0.42) ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1883661-B1 COATING MATERIAL METHOD FOR PRODUCTION AND USE THEREOF FOR THE PRODUCTION OF ADHESIVE TONE AND/OR EFFECT-GENERATING COATINGS BASF COATINGS GMBH (DE) 2010-11-24 EP disclosed
EP-2139863-A2 METHOD FOR PRODUCING (METH)ACRYLATES OF N-HYDROXYALKYLATED IMIDAZOLES BASF SE (DE) 2010-01-06 EP disclosed
WO-2008098886-A2 METHOD FOR PRODUCING (METH)ACRYLATES OF N-HYDROXYALKYLATED IMIDAZOLES BASF SE (DE) 2008-08-21 WO disclosed
EP-1883661-A1 COATING MATERIAL METHOD FOR PRODUCTION AND USE THEREOF FOR THE PRODUCTION OF ADHESIVE TONE AND/OR EFFECT-GENERATING COATINGS BASF Coatings AG (DE) 2008-02-06 EP disclosed
WO-2006125734-A1 COATING MATERIAL METHOD FOR PRODUCTION AND USE THEREOF FOR THE PRODUCTION OF ADHESIVE TONE AND/OR EFFECT-GENERATING COATINGS BASF COATINGS AG (DE) 2006-11-30 WO disclosed