SCHEMBL9360239

SCHEMBL9360239

C=C(C)C(=O)OCCN(CCO)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDK2 Q15119 1/20 0.33

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
SCHEMBL16159994 0.93 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8982465 0.88 THRB (0.44) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9324299 0.86 THRB (0.43) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL26487463 0.86 TSHR (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL27707440 0.84 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL12860141 0.81 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL1250799 0.81 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9324315 0.81 THRB (0.39) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL2123596 0.80 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9765971 0.80 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1

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-0394787-B1 Compositions containing carbamide group containing (meth)acrylic acid esters for use as adhesive components for the treatment of collagenic materials in medicine, and preparation of the compositions BAYER AG (DE) 1994-06-08 EP disclosed
US-5300537-A Bonding dental fillings BAYER AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed
EP-0394787-A2 Compositions containing carbamide group containing (meth)acrylic acid esters for use as adhesive components for the treatment of collagenic materials in medicine, and preparation of the compositions BAYER AG (DE) 1990-10-31 EP disclosed