SCHEMBL28464657

SCHEMBL28464657

C=CCOc1c(C)cc(C)cc1C=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.44
SRC P12931 2/20 0.44
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PTGS1 P23219 3/20 0.35
PTGS2 P35354 3/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MPI P34949 1/20 0.34
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
TLR4 O00206 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL8161008 0.84 POLB (0.39) POLBALDH1A1GAAHPGDKMT2A
SCHEMBL14424604 0.77 POLB (0.36) POLBALDH1A1GAAHPGDKMT2A
SCHEMBL20271929 0.77 SRC (0.47) SRCPOLBALDH1A1GAAHPGD
SCHEMBL7283891 0.77 SRC (0.50) ERN1SRCALDH1A1HPGDKMT2A
SCHEMBL7283882 0.77 SRC (0.50) ERN1SRCALDH1A1HPGDKMT2A
SCHEMBL23748226 0.77 ALDH1A1 (0.46) SRCPOLBALDH1A1GAAHPGD
SCHEMBL6508732 0.77 SRC (0.44) ERN1SRCPOLBALDH1A1KMT2A
SCHEMBL30593089 0.77 ALDH1A1 (0.46) SRCPOLBALDH1A1GAAHPGD
SCHEMBL30251825 0.77 SRC (0.47) ERN1SRCPOLBALDH1A1GAA
SCHEMBL25559298 0.76 GAA (0.39) POLBALDH1A1GAAHPGDSMN1; SMN2

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-107586285-B Preparation method of 2, 3-dihydrobenzopyran-4-one derivative 浙江圣效化学品有限公司 2020-09-01 CN disclosed