SCHEMBL8975562

SCHEMBL8975562

C=C(C)C(=O)OCCS(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.53
TSHR P16473 4/20 0.52
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
GABRR1 P24046 1/20 0.30

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
SCHEMBL13625709 0.90 TSHR (0.56) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16625715 0.81 THRB (0.41) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15636 0.81 THRB (0.74) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL6142874 0.81 THRB (0.74) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8165576 0.79 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
Ethylene SCHEMBL632736 0.79 THRB (0.71) THRBTSHRALDH1A1POLBAPEX1
Ethylene SCHEMBL9485953 0.79 THRB (0.71) THRBTSHRALDH1A1POLBAPEX1
Ethylene SCHEMBL8506065 0.79 THRB (0.71) THRBTSHRALDH1A1POLBAPEX1
Ethylene SCHEMBL619217 0.79 THRB (0.71) THRBTSHRALDH1A1POLBAPEX1
Ethylene SCHEMBL955493 0.79 THRB (0.71) 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
US-5523367-A DISPOSABLE PRODUCTS PHILLIPS PETROLEUM COMPANY (US) 1996-06-04 US disclosed