SCHEMBL7690767

SCHEMBL7690767

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.38
IKBKB O14920 4/20 0.38
RARB P10826 3/20 0.37
RARG P13631 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 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
TDP1 Q9NUW8 1/20 0.37
HDAC11 Q96DB2 4/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 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
SCHEMBL7920883 0.92 RARB (0.43) RARAIKBKBRARBRARGMEN1
SCHEMBL5888281 0.89 RARA (0.44) RARAIKBKBRARBRARGMEN1
SCHEMBL8394244 0.89 RARA (0.38) RARAIKBKBRARBRARGTDP1
SCHEMBL7689452 0.85 RARA (0.36) RARAIKBKBRARBRARGMEN1
SCHEMBL8455784 0.84 RARB (0.38) RARAIKBKBRARBRARGMEN1
SCHEMBL7688255 0.83 RARA (0.43) RARAIKBKBRARBRARGMEN1
SCHEMBL7688251 0.83 RARA (0.43) RARAIKBKBRARBRARGMEN1
SCHEMBL7690770 0.83 RARA (0.54) RARAIKBKBRARBRARGMEN1
SCHEMBL7920782 0.82 RARA (0.37) RARAIKBKBRARBRARGMEN1
SCHEMBL7926557 0.81 RARB (0.45) RARAIKBKBRARBRARGMEN1

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 4 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
EP-0679628-B1 Polyene derivatives, pharmaceutical and cosmetic composition containing them and their use CIRD GALDERMA (FR) 1998-04-22 EP 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
EP-0679628-A1 Polyene derivatives, pharmaceutical and cosmetic composition containing them and their use CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1995-11-02 EP disclosed