SCHEMBL7683526

SCHEMBL7683526

CCOC(=O)C=C(C)C=Cc1ccc2cc(OC(OC)OCC)c(C34CC5CC(CC(C5)C3)C4)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 4/20 0.39
HDAC2 Q92769 1/20 0.38
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
RARA P10276 3/20 0.35
IKBKB O14920 1/20 0.35
RARB P10826 3/20 0.35
RARG P13631 2/20 0.35
TOP2A P11388 5/20 0.34
EPHX2 P34913 1/20 0.34
MAOB P27338 1/20 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
HSPD1 P10809 1/20 0.34
GOT1 P17174 1/20 0.34
GLRA1 P23415 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
SCHEMBL7687871 0.92 HDAC11 (0.43) HDAC11HDAC2HDAC1HDAC7HDAC8
SCHEMBL7689601 0.88 HDAC11 (0.46) HDAC11HDAC2HDAC1HDAC7HDAC8
SCHEMBL7689603 0.88 HDAC11 (0.46) HDAC11HDAC2HDAC1HDAC7HDAC8
SCHEMBL7689599 0.88 HDAC11 (0.46) HDAC11HDAC2HDAC1HDAC7HDAC8
SCHEMBL7683532 0.86 RARA (0.39) HDAC11HDAC2HDAC1HDAC7HDAC8
SCHEMBL7683524 0.86 RARA (0.39) HDAC11HDAC2HDAC1HDAC7HDAC8
SCHEMBL7683142 0.83 MEN1 (0.45) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL7683152 0.83 MEN1 (0.45) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL7683146 0.83 MEN1 (0.45) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL7690768 0.82 RARA (0.37) HDAC11HDAC2HDAC1HDAC7HDAC8

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
US-RE37947-E1 Aromatic polyenic compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2002-12-31 US disclosed
US-5705167-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, BONE AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-01-06 US disclosed