SCHEMBL19610339

SCHEMBL19610339

c1cc(-c2ccc(OCCCCC3OCCO3)cc2)ccc1OCCCCC1OCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44
HRH3 Q9Y5N1 9/20 0.42
RARB P10826 4/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL12933666 0.88 ALDH1A1 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16982169 0.85 FFAR4 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16982148 0.85 RARA (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2833284 0.84 HRH3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2718081 0.84 HRH3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17979185 0.82 MEN1 (0.60) RARBMEN1KMT2A
SCHEMBL11385685 0.82 ALDH1A1 (0.51) MEN1KMT2ANPC1RAB9A
SCHEMBL2720901 0.82 HRH3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2720688 0.82 HRH3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2718715 0.82 HRH3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2

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-3246309-A1 METHOD FOR TREATING TIN COMPOUND IN REACTION MIXTURE Nissan Chemical Industries, Ltd. (JP) 2017-11-22 EP disclosed