SCHEMBL28565321

SCHEMBL28565321

CCCCc1ccc(C(=O)OCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.65
TDP1 Q9NUW8 2/20 0.65
SLC6A2 P23975 1/20 0.65
SLC6A3 Q01959 1/20 0.65
LMNA P02545 3/20 0.64
ALDH1A1 P00352 3/20 0.60
MAPT P10636 3/20 0.60
HPGD P15428 2/20 0.60
TSHR P16473 2/20 0.58
MAPK1 P28482 2/20 0.58
CYP3A4 P08684 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
RAB9A P51151 2/20 0.58
GAA P10253 1/20 0.58
MEN1 O00255 1/20 0.56
ESR1 P03372 2/20 0.55
ESR2 Q92731 1/20 0.55
TRPV1 Q8NER1 1/20 0.55
RARB P10826 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52

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
SCHEMBL13925828 0.91 KMT2A (0.69) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL28551026 0.89 KMT2A (0.57) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6889196 0.88 MEN1 (0.59) KMT2ASLC6A2SLC6A3LMNAALDH1A1
SCHEMBL6655378 0.88 MEN1 (0.59) KMT2ASLC6A2SLC6A3LMNAALDH1A1
SCHEMBL6887846 0.88 MEN1 (0.59) KMT2ASLC6A2SLC6A3LMNAALDH1A1
SCHEMBL3083135 0.87 KMT2A (0.79) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6158855 0.86 KMT2A (0.67) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL11416620 0.86 TSHR (0.78) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL13469241 0.85 KMT2A (0.76) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6670120 0.85 TSHR (0.71) KMT2ATDP1SLC6A2SLC6A3LMNA

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-109553704-B Catalyst component for olefin polymerization, catalyst and application 中国石油化工股份有限公司 2021-04-13 CN claimed
CN-109553704-B Catalyst component for olefin polymerization, catalyst and application 中国石油化工股份有限公司 2021-04-13 CN disclosed