SCHEMBL28649253

SCHEMBL28649253

COc1cc(C(=O)Oc2ccc(/C=C/C(=O)C(O)CC(O)(Cc3ccc(N)cc3)C(=O)/C=C/c3ccc(OC(=O)c4ccc(OCCCC(F)(F)C(F)(F)F)c(OC)c4)cc3)cc2)ccc1OCCCC(F)(F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EGFR P00533 1/20 0.36
CSK P41240 1/20 0.36
TNFRSF1A P19438 2/20 0.35
ABCG2 Q9UNQ0 2/20 0.35
APP P05067 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
FDPS P14324 2/20 0.34
PPARA Q07869 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
SCHEMBL28927727 0.95 LMNA (0.38) MAPTLMNAMAPK1CA1CA2
SCHEMBL28658296 0.93 MAPT (0.37) MAPTLMNAMAPK1CA1CA2
SCHEMBL28657783 0.91 CA1 (0.41) MAPTLMNACA1CA2ALDH1A1
SCHEMBL28649736 0.91 LMNA (0.39) MAPTLMNAMAPK1CA1CA2
SCHEMBL28650775 0.90 PPARA (0.35) MAPTABCG2KDM4EPPARA
SCHEMBL28664665 0.90 PPARA (0.35) MAPTABCG2KDM4EPPARA
SCHEMBL28649760 0.89 MAPT (0.40) MAPTLMNAMAPK1CA1CA2
SCHEMBL2672252 0.88 MAPT (0.40) MAPTLMNAMAPK1CA1CA2
SCHEMBL28928347 0.88 MAPT (0.39) MAPTLMNAMAPK1CA1CA2
SCHEMBL28649271 0.85 CA1 (0.41) MAPTLMNACA1CA2ALDH1A1

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-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