SCHEMBL7689475

SCHEMBL7689475

C/C(=C/C=O)c1ccc(OC(C)C)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 8/20 0.52
RARB P10826 7/20 0.52
RARG P13631 7/20 0.52
HDAC11 Q96DB2 4/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
PGR P06401 1/20 0.41
HSPD1 P10809 1/20 0.41
GOT1 P17174 1/20 0.41
GLRA1 P23415 1/20 0.41
BLM P54132 1/20 0.41
HSPE1 P61604 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
IKBKB O14920 2/20 0.38
HDAC2 Q92769 1/20 0.37
PKM P14618 1/20 0.36
CNR2 P34972 1/20 0.36
HDAC1 Q13547 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
SCHEMBL7689477 1.00 RARA (0.52) RARARARBRARGHDAC11MEN1
SCHEMBL7688750 0.87 RARA (0.67) RARARARBRARGHDAC11MEN1
SCHEMBL7688748 0.87 RARA (0.67) RARARARBRARGHDAC11MEN1
SCHEMBL7691706 0.84 RARA (0.51) RARARARBRARGHDAC11MEN1
SCHEMBL7686283 0.83 RARA (0.48) RARARARBRARGHDAC11MEN1
SCHEMBL7689421 0.83 RARA (0.48) RARARARBRARGHDAC11MEN1
SCHEMBL7689423 0.83 RARA (0.48) RARARARBRARGHDAC11MEN1
SCHEMBL7686259 0.82 RARG (0.50) RARARARBRARGHDAC11MEN1
SCHEMBL7686255 0.82 RARG (0.50) RARARARBRARGHDAC11MEN1
SCHEMBL8651203 0.82 RARA (0.47) RARARARBRARGHDAC11MEN1

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 3 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
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