SCHEMBL28040899

SCHEMBL28040899

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.57
THRB P10828 1/20 0.40
ALDH1A1 P00352 4/20 0.38
USP2 O75604 2/20 0.32
CYP3A4 P08684 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
RECQL P46063 1/20 0.32
HPGD P15428 1/20 0.31
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL21056351 0.84 TSHR (0.52) TSHRTHRBALDH1A1
SCHEMBL15877778 0.82 TSHR (0.63) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL9511437 0.82 TSHR (0.63) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL28869982 0.81 TSHR (0.38) TSHRALDH1A1
SCHEMBL1922792 0.80 TSHR (0.52) TSHRTHRBALDH1A1
SCHEMBL28568115 0.80 TSHR (0.61) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL6676860 0.80 TSHR (0.61) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL28168708 0.80 TSHR (0.40) TSHRTHRBALDH1A1
SCHEMBL9695772 0.79 TSHR (0.72) TSHRTHRBALDH1A1MAPTPOLB
SCHEMBL19017 0.79 TSHR (0.72) TSHRTHRBALDH1A1MAPTPOLB

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
CN-105085561-B Metal oxide particle and application thereof 株式会社日本触媒 2019-05-28 CN disclosed
CN-103987688-B Compound, metal oxide particle, and preparation method and use thereof 株式会社日本触媒 2017-05-24 CN disclosed
CN-105085561-A Metal oxide particle and applications thereof NIPPON CATALYTIC CHEMICAL INDUSTRY 2015-11-25 CN disclosed