SCHEMBL28645810

SCHEMBL28645810

C=C(C(=O)Oc1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
GAA P10253 2/20 0.54
POLB P06746 1/20 0.54
HSD17B10 Q99714 3/20 0.53
ALDH1A1 P00352 3/20 0.53
PGR P06401 1/20 0.53
PTGS1 P23219 1/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 1/20 0.51
RAB9A P51151 1/20 0.51
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
PTK2B Q14289 1/20 0.47
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MMP3 P08254 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL27334518 0.85 KMT2A (0.55) KMT2AGAAPOLBHSD17B10ALDH1A1
SCHEMBL7181428 0.84 ALDH1A1 (0.65) KMT2AGAAPOLBHSD17B10ALDH1A1
SCHEMBL3794319 0.81 PLK1 (0.54) KMT2AGAAPOLBHSD17B10ALDH1A1
SCHEMBL8367791 0.81 KMT2A (0.78) KMT2AGAAPOLBHSD17B10ALDH1A1
SCHEMBL31541857 0.80 KMT2A (0.45) KMT2AGAAPOLBHSD17B10ALDH1A1
SCHEMBL11754236 0.79 KMT2A (0.76) KMT2AGAAPOLBHSD17B10ALDH1A1
SCHEMBL18499914 0.79 ALDH1A1 (0.56) KMT2AGAAPOLBHSD17B10ALDH1A1
SCHEMBL10401169 0.79 ALDH1A1 (0.56) KMT2AGAAPOLBHSD17B10ALDH1A1
SCHEMBL67480 0.79 ALDH1A1 (0.60) KMT2AGAAPOLBHSD17B10ALDH1A1
SCHEMBL29373404 0.79 ALDH1A1 (0.60) KMT2AGAAPOLBHSD17B10ALDH1A1

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-117105941-A Polybenzocyclobutane or benzazepine derivatives and preparation method thereof 中国海洋大学 2023-11-24 CN disclosed
CN-116981758-A Thermally responsive brush polymers having a copolymer backbone and copolymer arms 英菲诺姆国际有限公司 2023-10-31 CN disclosed
CN-107849201-B Block copolymer 株式会社日本触媒 2021-05-14 CN disclosed