SCHEMBL7689599

SCHEMBL7689599

CCOC(=O)/C=C(C)/C=C/c1ccc2cc(OC)c(C34CC5CC(CC(C5)C3)C4)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 4/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
RARA P10276 3/20 0.43
RARB P10826 2/20 0.43
RARG P13631 2/20 0.43
MAOB P27338 1/20 0.43
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NR1I2 O75469 1/20 0.42
PGR P06401 1/20 0.42
HSPD1 P10809 1/20 0.42
GOT1 P17174 1/20 0.42
GLRA1 P23415 1/20 0.42
BLM P54132 1/20 0.42
HSPE1 P61604 1/20 0.42

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
SCHEMBL7689601 1.00 HDAC11 (0.46) HDAC11HDAC2HDAC1HDAC7HDAC8
SCHEMBL7689603 1.00 HDAC11 (0.46) HDAC11HDAC2HDAC1HDAC7HDAC8
SCHEMBL7683146 0.89 MEN1 (0.45) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL7683142 0.89 MEN1 (0.45) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL7683152 0.89 MEN1 (0.45) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL7683526 0.88 HDAC11 (0.39) HDAC11HDAC2HDAC1HDAC7HDAC8
SCHEMBL7687887 0.88 HDAC11 (0.50) HDAC11HDAC2HDAC1HDAC7HDAC8
SCHEMBL7687890 0.88 HDAC11 (0.50) HDAC11HDAC2HDAC1HDAC7HDAC8
SCHEMBL7687885 0.88 HDAC11 (0.50) HDAC11HDAC2HDAC1HDAC7HDAC8
SCHEMBL7683532 0.87 RARA (0.39) 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 1 patent. 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