SCHEMBL6636059

SCHEMBL6636059

COC(=O)C=Cc1ccc(-c2ccc(O[Si](C)(C)C(C)(C)C)c(C34CC5CC(CC(C5)C3)C4)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 6/20 0.62
HDAC2 Q92769 2/20 0.62
HDAC7 Q8WUI4 3/20 0.58
HDAC8 Q9BY41 3/20 0.58
HDAC6 Q9UBN7 3/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC4 P56524 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
RARB P10826 6/20 0.50
RARA P10276 4/20 0.43
RARG P13631 3/20 0.43
MEN1 O00255 1/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
PGR P06401 1/20 0.43
HSPD1 P10809 1/20 0.43
GOT1 P17174 1/20 0.43
GLRA1 P23415 1/20 0.43

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
SCHEMBL404926 1.00 HDAC11 (0.62) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL29462773 0.88 HDAC11 (0.49) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL10046516 0.86 HDAC11 (0.55) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL405445 0.86 HDAC11 (0.82) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL405444 0.86 HDAC11 (0.82) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL29462871 0.86 HDAC11 (0.47) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL29462770 0.84 HDAC11 (0.46) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL404472 0.84 HDAC11 (0.49) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL399513 0.82 HDAC11 (0.47) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL30015366 0.81 HDAC11 (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412317-A1 RETINOID DERIVATIVES WITH ANTIANGIOGENIC, ANTITUMOR AND PROAPOPTOTIC ACTIVITIES Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2004-04-28 EP disclosed
WO-2003011808-A1 RETINOID DERIVATIVES WITH ANTIANGIOGENIC, ANTITUMORAL AND PROAPOPTOTIC ACTIVITIES SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-02-13 WO disclosed