SCHEMBL28948151

SCHEMBL28948151

CC(C)=CCOc1cccc(F)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
PTPN1 P18031 1/20 0.40
ALOX5 P09917 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
PTGES O14684 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HRH2 P25021 1/20 0.38
ALOX15 P16050 2/20 0.38
LTB4R Q15722 2/20 0.38
LTB4R2 Q9NPC1 2/20 0.38
CCR2 P41597 1/20 0.38
GRIK1 P39086 1/20 0.37

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
SCHEMBL29037809 0.82 LIG1 (0.47) KMT2ACA12CA1CA2CA7
SCHEMBL5007630 0.80 L3MBTL1 (0.50) KMT2ACA12CA1CA2CA7
SCHEMBL20084397 0.79 L3MBTL1 (0.47) KMT2ATDP1ALOX15
SCHEMBL20504730 0.77 PTPN1 (0.54) KMT2ACA12CA1CA2CA7
SCHEMBL24136176 0.76 PTPN1 (0.59) PTPN1LTB4RLTB4R2
SCHEMBL4992797 0.76 PTPN1 (0.50) KMT2ACA12CA1CA2CA7
SCHEMBL1791554 0.75 KDM4E (0.58) KMT2ATDP1
SCHEMBL30293717 0.75 KDM4E (0.58) KMT2ATDP1
SCHEMBL2834462 0.75 MMP1 (0.54) KMT2ACA12CA1CA2CA7
SCHEMBL2483515 0.74 KDM4E (0.53) KMT2ACA12CA1CA2CA7

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-115504969-A Chromanone compound and preparation method and application thereof 西南医科大学 2022-12-23 CN disclosed