SCHEMBL28658289

SCHEMBL28658289

Nc1ccc(CC(O)(CC(O)C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC(F)(F)F)cc3)cc2)C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.38
CYP2D6 P10635 1/20 0.35
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
F2 P00734 2/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
APP P05067 5/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ESR1 P03372 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL28657843 1.00 HDAC1 (0.38) HDAC1CYP2D6GRIK1GRIK2CA12
SCHEMBL28653362 0.94 HDAC1 (0.33) HDAC1CYP2D6GRIK1GRIK2CA12
SCHEMBL28658272 0.94 HDAC1 (0.33) HDAC1CYP2D6GRIK1GRIK2CA12
SCHEMBL28662077 0.90 MAOB (0.35) HDAC1F2PRSS1PRSS2PRSS3
SCHEMBL28658279 0.90 MAOB (0.35) HDAC1F2PRSS1PRSS2PRSS3
SCHEMBL28663410 0.89 PPARA (0.36) HDAC1PRSS1HDAC8MAOB
SCHEMBL28647635 0.89 PPARA (0.36) HDAC1PRSS1HDAC8MAOB
SCHEMBL28649760 0.89 MAPT (0.40) CA1CA2KMT2AAPPKDM4E
SCHEMBL28664673 0.88 ABCG2 (0.35) HDAC1CYP2D6PRSS1KMT2AHDAC8
SCHEMBL28647654 0.88 ABCG2 (0.35) HDAC1CYP2D6PRSS1KMT2AHDAC8

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-104649916-B Photocrosslinkable materials 罗利克有限公司 2020-12-01 CN claimed
CN-107438653-B Photoalignment composition 罗利克有限公司 2022-01-07 CN disclosed
CN-113652167-A Photoalignment composition 罗利克有限公司 2021-11-16 CN disclosed
CN-104649916-B Photocrosslinkable materials 罗利克有限公司 2020-12-01 CN disclosed