SCHEMBL25945455

SCHEMBL25945455

C=C(C)C(=O)COc1ccc(-c2ccc(-c3ccc(OC(=O)C(=C)C)c(OC)c3)cc2F)cc1OC(=O)C(=C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGS2 P35354 3/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL24440894 0.91 AMY1A (0.41) MAPTPTGS2AMY1APRKCZERN1
SCHEMBL18699583 0.89 AR (0.42) PTGS2AMY1APRKCZERN1
SCHEMBL26144314 0.87 ERN1 (0.42) MAPTMAPK1RAB9APTGS2AMY1A
SCHEMBL26144313 0.87 ERN1 (0.42) MAPTMAPK1RAB9APTGS2AMY1A
SCHEMBL25945446 0.86 AMY1A (0.39) MAPTPTGS2AMY1ACTSAFFAR1
SCHEMBL15338821 0.86 GAPDH (0.41) KDM4EMEN1KMT2AHSD17B10ERN1
SCHEMBL25933764 0.86 FGFR1 (0.40) MAPTPTGS2AMY1ACTSAFFAR1
SCHEMBL24440978 0.85 FDPS (0.37) KDM4EMAPTMAPK1NPC1RAB9A
SCHEMBL15338898 0.85 GAPDH (0.40) KDM4EMEN1KMT2AHSD17B10ERN1
SCHEMBL25945385 0.83 KDM4E (0.39) KDM4EMAPTMAPK1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4056667-B1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-08-02 EP disclosed