SCHEMBL28647864

SCHEMBL28647864

c1ccc(-c2ccccc2OCCCC2CO2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 1/20 0.54
HTR7 P34969 1/20 0.51
LMNA P02545 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 2/20 0.49
ADRB2 P07550 3/20 0.49
USP2 O75604 1/20 0.48
ALDH1A1 P00352 5/20 0.48
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTR1A P08908 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
KDM4E B2RXH2 6/20 0.47
PKM P14618 1/20 0.47
ADRB1 P08588 1/20 0.47

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
SCHEMBL28237730 0.95 TP53 (0.53) TP53MAPK1RAB9AHTR7LMNA
SCHEMBL28651880 0.92 TP53 (0.56) TP53MAPK1RAB9AHTR7LMNA
SCHEMBL28598526 0.82 TSHR (0.51) TP53MAPK1RAB9AHTR7LMNA
SCHEMBL29422796 0.81 ALDH1A1 (0.64) TP53MAPK1RAB9AHTR7LMNA
SCHEMBL8993129 0.81 ALDH1A1 (0.64) TP53MAPK1RAB9AHTR7LMNA
SCHEMBL623648 0.81 ALDH1A1 (0.64) TP53MAPK1RAB9AHTR7LMNA
SCHEMBL28458130 0.81 USP2 (0.52) TP53MAPK1RAB9AHTR7LMNA
SCHEMBL13740267 0.80 TP53 (0.71) TP53MAPK1RAB9AHTR7LMNA
SCHEMBL15522001 0.80 TP53 (0.71) TP53MAPK1RAB9AHTR7LMNA
Water SCHEMBL22325690 0.80 ALDH1A1 (0.62) TP53MAPK1RAB9AHTR7LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113563693-A Liquid crystal epoxy resin-mesoporous silica composite material, preparation method and application 中科院广州化学有限公司 2021-10-29 CN claimed
CN-113563693-B Liquid crystal epoxy resin-mesoporous silica composite material, preparation method and application 中科院广州化学有限公司 2024-03-29 CN disclosed
CN-113563693-A Liquid crystal epoxy resin-mesoporous silica composite material, preparation method and application 中科院广州化学有限公司 2021-10-29 CN disclosed