SCHEMBL7688239

SCHEMBL7688239

CCOC(OC)Oc1ccc(C(C)=CC#N)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.45
RARB P10826 5/20 0.45
RARG P13631 5/20 0.45
MEN1 O00255 1/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
PGR P06401 1/20 0.36
HSPD1 P10809 1/20 0.36
GOT1 P17174 1/20 0.36
GLRA1 P23415 1/20 0.36
BLM P54132 1/20 0.36
HSPE1 P61604 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
IKBKB O14920 2/20 0.35
PDE4A P27815 7/20 0.34
PDE4B Q07343 7/20 0.34
PDE4C Q08493 7/20 0.34
PDE4D Q08499 7/20 0.34
HDAC11 Q96DB2 3/20 0.33

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
SCHEMBL7686283 0.85 RARA (0.48) RARARARBRARGMEN1NR1I2
SCHEMBL7689423 0.84 RARA (0.48) RARARARBRARGMEN1NR1I2
SCHEMBL7689421 0.84 RARA (0.48) RARARARBRARGMEN1NR1I2
SCHEMBL5888196 0.83 RARA (0.57) RARARARBRARGMEN1NR1I2
SCHEMBL7692234 0.82 RARA (0.62) RARARARBRARGMEN1NR1I2
SCHEMBL7692233 0.82 RARA (0.62) RARARARBRARGMEN1NR1I2
SCHEMBL5888167 0.82 RARA (0.59) RARARARBRARGMEN1NR1I2
SCHEMBL5888181 0.82 RARA (0.56) RARARARBRARGMEN1NR1I2
SCHEMBL5888168 0.82 RARB (0.53) RARARARBRARGMEN1NR1I2
SCHEMBL8694759 0.82 RARA (0.44) RARARARBRARGMEN1NR1I2

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