SCHEMBL25438463

SCHEMBL25438463

C=C(C)C(=O)OCCN(C=CC)C=CC

nearest known ligand 0.46

Predicted protein targets (top 9)

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
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL15499812 0.84 TSHR (0.49) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL3283075 0.83 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL24386516 0.82 THRB (0.41) THRBTSHRPOLBAPEX1HTT
SCHEMBL746457 0.77 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28671752 0.75 CHRM2 (0.54) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL712423 0.75 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL14984 0.75 CHRM2 (0.54) THRBTSHRALDH1A1POLBAPEX1
Propene SCHEMBL672400 0.74 THRB (0.63) THRBTSHRALDH1A1POLBAPEX1
Propene SCHEMBL8851515 0.74 THRB (0.63) THRBTSHRALDH1A1POLBAPEX1
Propene SCHEMBL11112032 0.74 THRB (0.63) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023096923-A1 STIMULI RESPONSIVE BLOCK COPOLYMERS BOSTON SCIENTIFIC SCIMED, INC. (US) 2023-06-01 WO claimed