SCHEMBL9775639

SCHEMBL9775639

C=C(C)C(=O)OCCCC(CC)OCCC

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
THRB P10828 1/20 0.45
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30
ATM Q13315 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
SCHEMBL27459942 0.92 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL31351330 0.85 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8943942 0.84 TSHR (0.54) TSHRTHRBPOLBAPEX1HTT
SCHEMBL29115530 0.83 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18916918 0.81 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL14044625 0.80 THRB (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28066751 0.79 TSHR (0.49) TSHRTHRBPOLBAPEX1HTT
SCHEMBL27921818 0.79 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28176448 0.79 THRB (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18953068 0.78 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT

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-4999218-A (Meth)acrylate copolymer and aromatic ketone dispersion; concrete roof tiles BASF AKTIENGESELLSCHAFT (DE) 1991-03-12 US disclosed