SCHEMBL28680836

SCHEMBL28680836

CC(C)C(=O)OOP(=O)(O)Oc1ccc(C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
RAB9A P51151 4/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 2/20 0.38
XBP1 P17861 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ELANE P08246 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
PTPN5 P54829 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RECQL P46063 1/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL28680426 0.88 TSHR (0.47) CES2CES1KMT2AMEN1ELANE
SCHEMBL28931711 0.86 CES2 (0.39) CES2CES1RAB9AKMT2AMEN1
SCHEMBL28672559 0.86 SMN1; SMN2 (0.40) RAB9AKMT2AMEN1HPGDXBP1
SCHEMBL29017980 0.84 RAB9A (0.40) CES2CES1RAB9AKMT2AMEN1
SCHEMBL28673145 0.84 PRSS1 (0.44) CES2CES1RAB9AKMT2AMEN1
SCHEMBL2475808 0.82 CES2 (0.48) CES2CES1RAB9AKMT2AMEN1
SCHEMBL28687009 0.81 RAB9A (0.38) CES2CES1RAB9AKMT2AMEN1
SCHEMBL28681444 0.81 CES2 (0.42) CES2CES1RAB9AKMT2AMEN1
SCHEMBL28931874 0.80 PRSS1 (0.41) RAB9AKMT2AMEN1HPGDXBP1
SCHEMBL28697487 0.80 PRSS1 (0.41) RAB9AKMT2AMEN1HPGDXBP1

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-114085301-A Solid catalyst component for preparing olefin polymer and application thereof 中国石油化工股份有限公司 2022-02-25 CN claimed
CN-113929797-A Solid catalyst component and catalyst system for producing polymers 中国石油化工股份有限公司 2022-01-14 CN claimed
CN-113929798-A Solid catalyst component and catalyst system for olefin polymerization 中国石油化工股份有限公司 2022-01-14 CN claimed
CN-113929799-A Catalyst component for olefin polymerization, catalyst system and application 中国石油化工股份有限公司 2022-01-14 CN claimed