SCHEMBL28020528

SCHEMBL28020528

CCCOc1ccccc1C(=O)OC(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.57
ADRB1 P08588 1/20 0.57
ADRB3 P13945 1/20 0.57
LMNA P02545 6/20 0.51
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.50
NR1I2 O75469 1/20 0.50
CHRM2 P08172 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADRA2A P08913 1/20 0.50
OPRK1 P41145 1/20 0.50
HTR2B P41595 1/20 0.50
SLC6A3 Q01959 1/20 0.50

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
SCHEMBL28020116 0.92 LMNA (0.57) ADRB2ADRB1ADRB3LMNAALDH1A1
SCHEMBL10324240 0.87 HCRTR1 (0.55) LMNAALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL4833801 0.86 HTT (0.52) ADRB2ADRB1ADRB3LMNAALDH1A1
SCHEMBL28026687 0.85 ADRB2 (0.58) ADRB2ADRB1ADRB3LMNAALDH1A1
SCHEMBL29196402 0.83 LMNA (0.59) ADRB2ADRB1ADRB3LMNAALDH1A1
SCHEMBL6467178 0.83 ADRB2 (0.56) ADRB2ADRB1ADRB3LMNAALDH1A1
SCHEMBL28020074 0.83 ALDH1A1 (0.53) ADRB2ADRB1ADRB3LMNAALDH1A1
SCHEMBL11339323 0.82 KDM4E (0.52) LMNAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL2949387 0.82 ALDH1A1 (0.73) ADRB2ADRB1ADRB3LMNAALDH1A1
SCHEMBL536427 0.82 MAPT (0.59) ADRB2ADRB1ADRB3LMNAALDH1A1

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-104829756-A Solid catalyst component for olefin polymerization, and preparation method and application thereof CHINESE ACAD INST CHEMISTRY 2015-08-12 CN disclosed