SCHEMBL30015768

SCHEMBL30015768

CC(C)(C)OC(=O)C=Cc1ccc(-c2ccc(OCCCCC(=O)NOC3CCCCO3)c(C34CC5CC(CC(C5)C3)C4)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 6/20 0.49
HDAC2 Q92769 2/20 0.46
HDAC7 Q8WUI4 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC4 P56524 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
RARB P10826 5/20 0.39
RARA P10276 3/20 0.38
IKBKB O14920 1/20 0.38
EPHX2 P34913 1/20 0.36
MGLL Q99685 1/20 0.36
RARG P13631 2/20 0.34
MEN1 O00255 1/20 0.34
NR1I2 O75469 1/20 0.34
LMNA P02545 1/20 0.34
PGR P06401 1/20 0.34

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
SCHEMBL30015788 0.99 HDAC11 (0.49) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL30015287 0.99 HDAC11 (0.49) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL29462766 0.93 HDAC11 (0.57) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL30015535 0.91 HDAC11 (0.53) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL30015166 0.88 HDAC11 (0.61) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL20025503 0.88 HDAC11 (0.61) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL23005177 0.87 HDAC11 (0.49) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL30016253 0.86 HDAC11 (0.61) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL23005171 0.85 HDAC11 (0.58) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL22929255 0.83 HDAC11 (0.70) HDAC11HDAC2HDAC7HDAC8HDAC6

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
CN-110114338-B Retinoid derivatives having antitumor activity 比奥吉公司 2022-10-21 CN disclosed