SCHEMBL7688243

SCHEMBL7688243

COCCOCOc1ccc(C(C)=CC#N)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARA P10276 7/20 0.60
IKBKB O14920 4/20 0.60
RARG P13631 11/20 0.46
RARB P10826 5/20 0.46
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
S1PR1 P21453 1/20 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
SCHEMBL7686286 0.85 RARA (0.63) RARAIKBKBRARGRARBMEN1
SCHEMBL7688245 0.83 RARA (0.45) RARAIKBKBRARGRARBMEN1
SCHEMBL7688236 0.83 RARA (0.45) RARAIKBKBRARGRARBMEN1
SCHEMBL5888298 0.83 RARA (0.68) RARAIKBKBRARGRARBMEN1
SCHEMBL7692234 0.83 RARA (0.62) RARAIKBKBRARGRARBMEN1
SCHEMBL7692233 0.83 RARA (0.62) RARAIKBKBRARGRARBMEN1
SCHEMBL5888199 0.83 RARA (0.63) RARAIKBKBRARGRARB
SCHEMBL5888184 0.82 RARA (0.62) RARAIKBKBRARGRARBMEN1
SCHEMBL5888169 0.82 RARA (0.64) RARAIKBKBRARGRARBMEN1
SCHEMBL5888172 0.81 RARA (0.77) RARAIKBKBRARGRARBMEN1

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