SCHEMBL28020069

SCHEMBL28020069

CCC1CO1.Cc1cccc(C(=O)OCC(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.52
ADRB1 P08588 3/20 0.52
ADRB3 P13945 3/20 0.52
L3MBTL1 Q9Y468 4/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.40
JMJD6 Q6NYC1 1/20 0.40

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
SCHEMBL6057072 0.85 ADRB2 (0.66) ADRB2ADRB1ADRB3L3MBTL1RAB9A
SCHEMBL28020066 0.85 L3MBTL1 (0.52) ADRB2ADRB1ADRB3L3MBTL1RAB9A
SCHEMBL28020119 0.85 L3MBTL1 (0.50) ADRB2ADRB1ADRB3L3MBTL1RAB9A
SCHEMBL28020505 0.83 L3MBTL1 (0.50) L3MBTL1RAB9ANPC1MAPTTSHR
SCHEMBL27545912 0.81 ADRB2 (0.55) ADRB2ADRB1ADRB3L3MBTL1RAB9A
SCHEMBL27567466 0.80 NPC1 (0.51) ADRB2ADRB1ADRB3L3MBTL1RAB9A
SCHEMBL28020526 0.79 ALDH1A1 (0.59) ADRB2ADRB1ADRB3L3MBTL1RAB9A
SCHEMBL5164967 0.77 ALDH1A1 (0.54) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL109308 0.77 ALDH1A1 (0.61) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL29360475 0.73 TDP1 (0.60) ADRB2ADRB1ADRB3L3MBTL1RAB9A

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