SCHEMBL28020523

SCHEMBL28020523

CCCCOc1ccccc1C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.56
MAPT P10636 2/20 0.56
CYP3A4 P08684 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NR1I2 O75469 1/20 0.56
CHRM2 P08172 1/20 0.56
ADRA2A P08913 1/20 0.56
OPRK1 P41145 1/20 0.56
HTR2B P41595 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
TSHR P16473 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 4/20 0.49
NPSR1 Q6W5P4 1/20 0.48
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRB2 P07550 1/20 0.47

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
SCHEMBL8642467 0.94 LMNA (0.65) LMNAMAPTCYP3A4MEN1KMT2A
SCHEMBL934896 0.92 ADRB2 (0.54) LMNAMAPTCYP3A4MEN1KMT2A
SCHEMBL20235275 0.88 TSHR (0.51) LMNAMAPTCYP3A4MEN1KMT2A
SCHEMBL23971030 0.85 LMNA (0.48) LMNAMAPTCYP3A4MEN1KMT2A
SCHEMBL30159042 0.85 LMNA (0.48) LMNAMAPTCYP3A4MEN1KMT2A
SCHEMBL23970739 0.84 LMNA (0.49) LMNAMAPTCYP3A4MEN1KMT2A
SCHEMBL28811038 0.84 LMNA (0.62) LMNAMAPTCYP3A4MEN1KMT2A
SCHEMBL6462760 0.84 LMNA (0.62) LMNAMAPTCYP3A4MEN1KMT2A
SCHEMBL8724910 0.84 LMNA (0.67) LMNAMAPTCYP3A4MEN1KMT2A
SCHEMBL28994423 0.83 TSHR (0.78) LMNACYP3A4TSHRL3MBTL1TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104829756-B A kind of solid catalyst component for olefine polymerization and its preparation method and application 中国科学院化学研究所 2018-05-15 CN disclosed
CN-104829756-A Solid catalyst component for olefin polymerization, and preparation method and application thereof CHINESE ACAD INST CHEMISTRY 2015-08-12 CN disclosed