SCHEMBL7685442

SCHEMBL7685442

COc1ccc(/C(C)=C/C=C/C(C)=C\C(=O)O)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 13/20 0.62
RARG P13631 13/20 0.62
RARB P10826 12/20 0.62
RXRA P19793 10/20 0.53
RXRB P28702 4/20 0.51
RXRG P48443 4/20 0.51
NR1I2 O75469 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
PGR P06401 1/20 0.51
HSPD1 P10809 1/20 0.51
GOT1 P17174 1/20 0.51
GLRA1 P23415 1/20 0.51
BLM P54132 1/20 0.51
HSPE1 P61604 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HDAC11 Q96DB2 2/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47

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
SCHEMBL7685449 1.00 RARA (0.62) RARARARGRARBRXRARXRB
SCHEMBL7159499 1.00 RARA (0.62) RARARARGRARBRXRARXRB
SCHEMBL7159498 1.00 RARA (0.62) RARARARGRARBRXRARXRB
SCHEMBL8560815 0.92 RARG (0.52) RARARARGRARBRXRARXRB
SCHEMBL8560817 0.92 RARG (0.52) RARARARGRARBRXRARXRB
SCHEMBL7686259 0.89 RARG (0.50) RARARARGRARBRXRARXRB
SCHEMBL7686255 0.89 RARG (0.50) RARARARGRARBRXRARXRB
SCHEMBL7681463 0.88 RARA (0.59) RARARARGRARBRXRARXRB
SCHEMBL7681472 0.88 RARA (0.59) RARARARGRARBRXRARXRB
SCHEMBL7687153 0.88 RARA (0.64) RARARARGRARBRXRANR1I2

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 claimed
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