SCHEMBL382128

SCHEMBL382128

CCCCOc1c(C)cccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
PTPN11 Q06124 2/20 0.51
TSHR P16473 2/20 0.47
TP53 P04637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PLK1 P53350 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PLA2G4B P0C869 2/20 0.46
CCNB2 O95067 1/20 0.46
CCNE2 O96020 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46

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
SCHEMBL27676707 0.94 PTPN11 (0.56) KDM4EALDH1A1HPGDHSD17B10PTPN11
SCHEMBL383490 0.92 ALDH1A1 (0.58) KDM4EALDH1A1HPGDHSD17B10PTPN11
SCHEMBL17980842 0.90 TSHR (0.53) KDM4EALDH1A1PTPN11TSHRTP53
SCHEMBL28602270 0.87 ALDH1A1 (0.57) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL7695345 0.86 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL6948839 0.86 ALDH1A1 (0.55) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13951454 0.85 ALDH1A1 (0.58) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL1989131 0.85 ALDH1A1 (0.62) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL14974491 0.84 TSHR (0.57) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL28020507 0.84 TSHR (0.66) KDM4EALDH1A1HSD17B10TSHRTP53

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-104829756-B A kind of solid catalyst component for olefine polymerization and its preparation method and application 中国科学院化学研究所 2018-05-15 CN disclosed
CN-104829756-A Solid catalyst component for olefin polymerization, and preparation method and application thereof CHINESE ACAD INST CHEMISTRY 2015-08-12 CN disclosed
US-8101625-B2 Pyrimidinones as Casein Kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-01-24 US disclosed
EP-1948617-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-07-27 EP disclosed