SCHEMBL28658367

SCHEMBL28658367

C=C(CC)C(=O)OC(=O)c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.51
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 4/20 0.47
POLB P06746 2/20 0.47
GAA P10253 1/20 0.47
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
MEN1 O00255 3/20 0.46
PTPN1 P18031 1/20 0.45
PLK1 P53350 1/20 0.45
CDC25A P30304 1/20 0.45
CDC25C P30307 1/20 0.45
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PTK2B Q14289 1/20 0.44
HPGD P15428 2/20 0.44

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
SCHEMBL5450038 0.88 CDC25B (0.49) CDC25BKDM4EALDH1A1KMT2APOLB
SCHEMBL559036 0.84 KMT2A (0.49) CDC25BKDM4EALDH1A1KMT2APOLB
SCHEMBL7559068 0.83 KMT2A (0.48) CDC25BKDM4EALDH1A1KMT2APOLB
SCHEMBL3971919 0.83 KMT2A (0.48) CDC25BKDM4EALDH1A1KMT2APOLB
SCHEMBL3971133 0.83 KMT2A (0.48) CDC25BKDM4EALDH1A1KMT2APOLB
Alcohol SCHEMBL27587649 0.82 CDC25B (0.58) CDC25BKDM4EALDH1A1KMT2APOLB
SCHEMBL11140059 0.81 NR4A1 (0.52) CDC25BKDM4EALDH1A1KMT2APOLB
Ethylene SCHEMBL10012407 0.80 NR4A1 (0.59) CDC25BKDM4EALDH1A1KMT2APOLB
SCHEMBL29459734 0.80 NR4A1 (0.63) CDC25BKDM4EALDH1A1KMT2APOLB
SCHEMBL137605 0.80 NR4A1 (0.63) CDC25BKDM4EALDH1A1KMT2APOLB

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-110506091-B Durable low emissivity window film constructions 3M创新有限公司 2021-10-22 CN disclosed