SCHEMBL7687871

SCHEMBL7687871

CCOC(OC)Oc1cc2ccc(C=CC(C)=CC(=O)O)cc2cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 4/20 0.43
HDAC2 Q92769 1/20 0.39
RARA P10276 4/20 0.38
RARB P10826 4/20 0.38
RARG P13631 3/20 0.38
IKBKB O14920 1/20 0.38
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
PGR P06401 1/20 0.37
HSPD1 P10809 1/20 0.37
GOT1 P17174 1/20 0.37
GLRA1 P23415 1/20 0.37
BLM P54132 1/20 0.37
HSPE1 P61604 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL7683526 0.92 HDAC11 (0.39) HDAC11HDAC2RARARARBRARG
SCHEMBL7687887 0.85 HDAC11 (0.50) HDAC11HDAC2RARARARBRARG
SCHEMBL7687885 0.85 HDAC11 (0.50) HDAC11HDAC2RARARARBRARG
SCHEMBL7687890 0.85 HDAC11 (0.50) HDAC11HDAC2RARARARBRARG
SCHEMBL7688255 0.84 RARA (0.43) HDAC11HDAC2RARARARBRARG
SCHEMBL7688251 0.84 RARA (0.43) HDAC11HDAC2RARARARBRARG
SCHEMBL7690768 0.83 RARA (0.37) HDAC11HDAC2RARARARBRARG
SCHEMBL7685292 0.83 HDAC11 (0.44) HDAC11HDAC2RARARARBRARG
SCHEMBL7685282 0.83 HDAC11 (0.44) HDAC11HDAC2RARARARBRARG
SCHEMBL7685286 0.83 HDAC11 (0.44) HDAC11HDAC2RARARARBRARG

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 5 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 claimed
EP-0679628-B1 Polyene derivatives, pharmaceutical and cosmetic composition containing them and their use CIRD GALDERMA (FR) 1998-04-22 EP claimed
US-5705167-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, BONE AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-01-06 US claimed
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