SCHEMBL7688255

SCHEMBL7688255

COC(C)OCOc1cc2ccc(C=CC(C)=CC(=O)O)cc2cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.43
IKBKB O14920 2/20 0.43
HDAC11 Q96DB2 4/20 0.41
HDAC2 Q92769 1/20 0.39
RARB P10826 5/20 0.38
RARG P13631 4/20 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
SCHEMBL7688251 1.00 RARA (0.43) RARAIKBKBHDAC11HDAC2RARB
SCHEMBL7683524 0.91 RARA (0.39) RARAIKBKBHDAC11HDAC2RARB
SCHEMBL7683532 0.91 RARA (0.39) RARAIKBKBHDAC11HDAC2RARB
SCHEMBL7687887 0.85 HDAC11 (0.50) RARAIKBKBHDAC11HDAC2RARB
SCHEMBL7687885 0.85 HDAC11 (0.50) RARAIKBKBHDAC11HDAC2RARB
SCHEMBL7687890 0.85 HDAC11 (0.50) RARAIKBKBHDAC11HDAC2RARB
SCHEMBL7685292 0.85 HDAC11 (0.44) RARAIKBKBHDAC11HDAC2RARB
SCHEMBL7685286 0.85 HDAC11 (0.44) RARAIKBKBHDAC11HDAC2RARB
SCHEMBL7685282 0.85 HDAC11 (0.44) RARAIKBKBHDAC11HDAC2RARB
SCHEMBL7687871 0.84 HDAC11 (0.43) RARAIKBKBHDAC11HDAC2RARB

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-0679628-B1 Polyene derivatives, pharmaceutical and cosmetic composition containing them and their use CIRD GALDERMA (FR) 1998-04-22 EP 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