SCHEMBL28992298

SCHEMBL28992298

CCCC#CC#CCCC#CC#CCCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 7/20 0.57
PTPN7 P35236 5/20 0.57
FFAR3 O14843 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
EPHX2 P34913 1/20 0.44
RECQL P46063 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL5394804 0.98 HMGCR (0.59) HMGCRPTPN7FFAR3HDAC3HDAC1
SCHEMBL8847424 0.88 PTPN7 (0.56) HMGCRPTPN7FFAR3HDAC3HDAC1
SCHEMBL416253 0.85 HMGCR (0.52) HMGCRPTPN7FFAR3HDAC3HDAC1
SCHEMBL3672568 0.84 PTPN7 (0.78) HMGCRPTPN7EPHX2RECQLTDP1
SCHEMBL30629431 0.84 HMGCR (0.78) HMGCRPTPN7EPHX2RECQLTDP1
SCHEMBL3670058 0.84 HMGCR (0.53) HMGCRPTPN7FFAR3HDAC3HDAC1
SCHEMBL4241662 0.83 HMGCR (0.50) HMGCRPTPN7FFAR3HDAC3HDAC1
SCHEMBL414690 0.83 HMGCR (0.81) HMGCRPTPN7EPHX2RECQLTDP1
SCHEMBL10947728 0.81 HMGCR (0.85) HMGCRPTPN7EPHX2RECQLTDP1
SCHEMBL6661815 0.81 HMGCR (0.85) HMGCRPTPN7EPHX2RECQLTDP1

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
CN-116042210-A Quantum dot capable of being directly photoetched, preparation method and application thereof 宁波杭州湾新材料研究院 2023-05-02 CN disclosed