SCHEMBL28548556

SCHEMBL28548556

CCCOC(=O)C(OC(=O)c1ccc(CCC)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
ALDH1A1 P00352 6/20 0.48
POLB P06746 3/20 0.48
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 3/20 0.46
NPSR1 Q6W5P4 2/20 0.43
MAPK1 P28482 1/20 0.43
UBE2N P61088 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
ESR1 P03372 3/20 0.42
CHRM1 P11229 1/20 0.42
TSHR P16473 1/20 0.42
SLC6A2 P23975 1/20 0.42
KDR P35968 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ESR2 Q92731 2/20 0.42

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
SCHEMBL28279403 0.93 LMNA (0.48) LMNAALDH1A1POLBKMT2AMAPT
SCHEMBL28278027 0.93 NPC1 (0.47) LMNAALDH1A1POLBKMT2AMAPT
SCHEMBL28277995 0.92 ALDH1A1 (0.56) LMNAALDH1A1POLBKMT2AMAPT
SCHEMBL28551050 0.91 NPC1 (0.47) LMNAALDH1A1POLBKMT2AMAPT
SCHEMBL28278028 0.91 ALDH1A1 (0.52) LMNAALDH1A1POLBKMT2AMAPT
SCHEMBL28277999 0.89 LMNA (0.63) LMNAALDH1A1POLBKMT2AMAPT
SCHEMBL28279391 0.88 NPC1 (0.47) LMNAALDH1A1POLBKMT2AMAPT
SCHEMBL28554575 0.87 NPSR1 (0.57) LMNAALDH1A1POLBKMT2AMAPT
SCHEMBL28547819 0.87 ALDH1A1 (0.52) LMNAALDH1A1POLBKMT2AMAPT
SCHEMBL28279359 0.86 NPC1 (0.47) LMNAALDH1A1POLBKMT2AMAPT

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 4 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 claimed
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 claimed
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