SCHEMBL28020083

SCHEMBL28020083

CCOC(=O)c1cc(C)cc(C)c1OC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
GAA P10253 3/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL14975231 0.82 CYP1A2 (0.43) CYP3A4CYP1A2CYP2C19TSHRL3MBTL1
SCHEMBL14975099 0.80 SMN1; SMN2 (0.42) CYP3A4CYP1A2CYP2C19TSHRL3MBTL1
SCHEMBL18050553 0.79 CYP3A4 (0.49) CYP3A4CYP1A2CYP2C19TSHRL3MBTL1
SCHEMBL14974977 0.79 MEN1 (0.42) CYP3A4CYP1A2CYP2C19TSHRL3MBTL1
SCHEMBL14975093 0.78 CYP1A2 (0.45) CYP3A4CYP1A2CYP2C19TSHRL3MBTL1
SCHEMBL28020095 0.78 TSHR (0.56) CYP1A2TSHRCA12CA1CA2
SCHEMBL14975043 0.77 L3MBTL1 (0.41) CYP3A4CYP1A2CYP2C19TSHRL3MBTL1
SCHEMBL7069958 0.77 ALDH1A1 (0.43) CYP3A4CYP1A2CYP2C19L3MBTL1GAA
SCHEMBL14975102 0.77 TSHR (0.45) CYP3A4CYP1A2CYP2C19TSHRL3MBTL1
SCHEMBL20234069 0.76 TSHR (0.52) CYP3A4CYP1A2CYP2C19TSHRL3MBTL1

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-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