SCHEMBL8965903

SCHEMBL8965903

C=C(C)C(=O)OCCCC(O)COC(=O)C(=C)C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
THRB P10828 1/20 0.46
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 5/20 0.39
USP2 O75604 3/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.30
DUSP3 P51452 1/20 0.30
LMNA P02545 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
SCHEMBL11232229 0.91 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3680977 0.89 TSHR (0.57) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1592259 0.88 TSHR (0.45) TSHRTHRBPOLBAPEX1HTT
SCHEMBL35712 0.86 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL27279560 0.86 TSHR (0.54) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1133357 0.86 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28049824 0.86 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL275389 0.86 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1132615 0.86 TSHR (0.53) TSHRTHRBTDP1ALDH1A1USP2
SCHEMBL8084375 0.86 TSHR (0.53) 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-5547762-A THERMOSETTING RESIN LAYER BRIDGESTONE CORPORATION (JP) 1996-08-20 US disclosed