SCHEMBL28673122

SCHEMBL28673122

CC(C)C(OP(=O)(O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
SRC P12931 2/20 0.39
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.36
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36
KCNN4 O15554 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
PTPN5 P54829 1/20 0.36
EDNRB P24530 3/20 0.35
EDNRA P25101 3/20 0.35
ALOX15 P16050 1/20 0.35
ACP3 P15309 1/20 0.35

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
SCHEMBL28972220 0.84 SRC (0.40) PTPN1SRCPTPN5ACP3
SCHEMBL28056963 0.81 PTPN1 (0.42) PTPN1CYP1A2CYP2D6SRCKDM4E
SCHEMBL1725827 0.77 ACP3 (0.36) SRCMAPTKMT2AKDM4ETDP1
SCHEMBL26108033 0.76 THRB (0.33) PTPN1CYP1A2CYP2D6SRCKMT2A
SCHEMBL26106101 0.76 ELANE (0.35) PTPN1CYP1A2CYP2D6SRCMAPT
SCHEMBL28654612 0.75 ALDH1A1 (0.41) PTPN1CYP1A2CYP2D6SRCKMT2A
SCHEMBL1014613 0.75 ALDH1A1 (0.54) PTPN1SRCMAPTKMT2AALDH1A1
SCHEMBL1955319 0.75 PTPN1 (0.47) PTPN1SRCMAPTKMT2AKDM4E
SCHEMBL11645774 0.75 CYP1A2 (0.50) CYP1A2CYP2D6MAPTKMT2AALDH1A1
SCHEMBL1070250 0.74 PTPN1 (0.50) PTPN1CYP1A2SRCKDM4EALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113773423-A Solid catalyst component for preparing olefin polymer and application thereof 中国石油化工股份有限公司 2021-12-10 CN claimed
CN-113773425-A Catalyst component for olefin polymerization and application thereof 中国石油化工股份有限公司 2021-12-10 CN claimed
CN-113773424-A Catalyst component for olefin polymerization and application 中国石油化工股份有限公司 2021-12-10 CN claimed
CN-113773425-A Catalyst component for olefin polymerization and application thereof 中国石油化工股份有限公司 2021-12-10 CN disclosed
CN-113773424-A Catalyst component for olefin polymerization and application 中国石油化工股份有限公司 2021-12-10 CN disclosed
CN-113773423-A Solid catalyst component for preparing olefin polymer and application thereof 中国石油化工股份有限公司 2021-12-10 CN disclosed