SCHEMBL3680977

SCHEMBL3680977

C=C(C)C(=O)OCCC(O)COC(=O)C(=C)C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
THRB P10828 1/20 0.48
ALDH1A1 P00352 4/20 0.38
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
USP2 O75604 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 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
SCHEMBL1567895 0.90 TSHR (0.46) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL8965903 0.89 TSHR (0.53) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL27542565 0.87 TSHR (0.47) TSHRTHRBALDH1A1USP2CYP3A4
SCHEMBL11232229 0.86 TSHR (0.59) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL94906 0.86 TSHR (0.68) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL36359 0.85 THRB (0.48) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL964801 0.85 TSHR (0.57) TSHRTHRBALDH1A1TDP1USP2
SCHEMBL1132926 0.85 THRB (0.53) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL328805 0.85 TSHR (0.57) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL19906419 0.84 TSHR (0.49) TSHRTHRBALDH1A1POLBAPEX1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329065-B2 Carbon nanotube-containing composition, composite, and methods for producing them MITSUBISHI RAYON CO., LTD. (JP) 2012-12-11 US disclosed
US-20100065788-A1 CARBON NANOTUBE-CONTAINING COMPOSITION, COMPOSITE, AND METHODS FOR PRODUCING THEM MITSUBISHI RAYON CO., LTD. (JP) 2010-03-18 US disclosed
US-5547762-A THERMOSETTING RESIN LAYER BRIDGESTONE CORPORATION (JP) 1996-08-20 US disclosed