SCHEMBL8965866

SCHEMBL8965866

C=CC(=O)OC(O)C(O)COC(=O)C(=C)C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.49
HPGD P15428 1/20 0.36
THRB P10828 1/20 0.35
ALDH1A1 P00352 5/20 0.33
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP3A4 P08684 2/20 0.32
HSD17B10 Q99714 1/20 0.32
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL8966160 0.87 TSHR (0.49) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL28035425 0.86 TSHR (0.51) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL8965784 0.84 TSHR (0.57) TSHRTHRBALDH1A1
SCHEMBL17670887 0.84 TSHR (0.35) TSHRHPGD
SCHEMBL8966166 0.83 TSHR (0.53) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL4464394 0.81 TSHR (0.53) TSHRHPGDTHRBALDH1A1TP53
Acrylic Acid Methyl Ester SCHEMBL28826459 0.81 TSHR (0.46) TSHRTHRBALDH1A1
SCHEMBL11667567 0.81 TSHR (0.53) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL22554422 0.80 TSHR (0.61) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL700973 0.79 TSHR (0.50) TSHRHPGDTHRBALDH1A1TP53

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