SCHEMBL28547819

SCHEMBL28547819

CCCc1ccc(C(=O)OC(C(=O)O)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
POLB P06746 2/20 0.52
PPARG P37231 8/20 0.50
PPARA Q07869 8/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 2/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
UBE2N P61088 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
NR2F2 P24468 1/20 0.43
PAX8 Q06710 1/20 0.43

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
SCHEMBL28278028 0.88 ALDH1A1 (0.52) ALDH1A1POLBPPARGPPARAMAPT
SCHEMBL28548556 0.87 LMNA (0.50) ALDH1A1POLBPPARGPPARAMAPT
SCHEMBL11777806 0.84 MEN1 (0.59) ALDH1A1POLBPPARAMAPTMEN1
SCHEMBL28278027 0.84 NPC1 (0.47) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL28551050 0.83 NPC1 (0.47) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL9498416 0.83 CYP4F2 (0.47) ALDH1A1POLBPPARGPPARAMAPT
SCHEMBL8462360 0.81 TSHR (0.62) ALDH1A1POLBPPARAMAPTMEN1
SCHEMBL21473833 0.81 TSHR (0.62) ALDH1A1POLBPPARAMAPTMEN1
SCHEMBL28278396 0.80 ALDH1A1 (0.50) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL9498212 0.80 PDCD1 (0.49) ALDH1A1POLBMAPTMEN1KMT2A

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-109553705-B Catalyst component for olefin polymerization and preparation method thereof 中国石油化工股份有限公司 2021-04-13 CN disclosed
CN-109553712-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-03-16 CN disclosed