SCHEMBL22628752

SCHEMBL22628752

CC(C)(N)CC(N)C(C)(C)C(=O)OC1CCC(Oc2ccc3cc(-c4cccnc4)sc3c2)C1(C)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
F9 P00740 1/20 0.31
F10 P00742 1/20 0.31
LNPEP Q9UIQ6 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL22630075 0.92 NR1H4 (0.32)
SCHEMBL22629954 0.86 SOAT2 (0.34)
SCHEMBL22630072 0.85
SCHEMBL22630037 0.84 HDAC1 (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL21735440 0.82 HDAC1 (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL21735437 0.82 HDAC1 (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL22630077 0.80
SCHEMBL22628877 0.79 HDAC6 (0.32) HDAC6
SCHEMBL22630078 0.78 F9 (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL22628929 0.76 NR1H4 (0.34)

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-3583091-B1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed