SCHEMBL28649271

SCHEMBL28649271

COc1cc(/C=C/C(=O)C(O)CC(O)(Cc2ccc(N)cc2)C(=O)/C=C/c2ccc(OC(=O)c3ccc(OCCCC(F)(F)F)cc3)c(OC)c2)ccc1OC(=O)c1ccc(OCCCC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
KDM4E B2RXH2 3/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
CA12 O43570 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MET P08581 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SYK P43405 1/20 0.36
VCP P55072 1/20 0.36
TNFRSF1A P19438 1/20 0.36
APP P05067 3/20 0.36

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
SCHEMBL28648639 0.98 CA1 (0.41) CA1CA2KMT2AMEN1KDM4E
SCHEMBL28657783 0.95 CA1 (0.41) CA1CA2KMT2AMEN1KDM4E
SCHEMBL28664697 0.93 CA1 (0.42) CA1CA2KMT2AMEN1KDM4E
SCHEMBL28927727 0.91 LMNA (0.38) CA1CA2KMT2AMEN1KDM4E
SCHEMBL28663428 0.90 CA1 (0.44) CA1CA2KMT2AMEN1KDM4E
SCHEMBL28647635 0.89 PPARA (0.36)
SCHEMBL28663410 0.89 PPARA (0.36)
SCHEMBL28658296 0.88 MAPT (0.37) CA1CA2KMT2AMEN1KDM4E
SCHEMBL28658282 0.88 CA1 (0.42) CA1CA2KMT2AMEN1KDM4E
SCHEMBL867487 0.88 CA1 (0.45) CA1CA2KMT2AMEN1KDM4E

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