SCHEMBL28020512

SCHEMBL28020512

CC1(C)CO1.Cc1cccc(C(=O)OC(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
RAB9A P51151 3/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
HTT P42858 1/20 0.48
ELANE P08246 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43

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
SCHEMBL6057062 0.88 RAB9A (0.58) L3MBTL1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL27545912 0.82 ADRB2 (0.55) L3MBTL1RAB9AMAPTNPC1ALDH1A1
SCHEMBL27536387 0.81 RAB9A (0.51) L3MBTL1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL7468235 0.79 ELANE (0.52) L3MBTL1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL28020119 0.79 L3MBTL1 (0.50) L3MBTL1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL28020539 0.78 L3MBTL1 (0.54) L3MBTL1RAB9ANPC1ELANEALDH1A1
SCHEMBL43683 0.78 NPC1 (0.65) L3MBTL1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL28020497 0.76 L3MBTL1 (0.52) L3MBTL1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL14071954 0.75 RAB9A (0.41) L3MBTL1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL14690342 0.74 RAB9A (0.61) L3MBTL1RAB9AMAPTNPC1HDAC8

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