SCHEMBL7683402

SCHEMBL7683402

COC(C)OCOc1ccc(C(C)=CC=CC(C)=CC(=O)O)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 15/20 0.46
RARA P10276 13/20 0.46
RARB P10826 12/20 0.46
IKBKB O14920 2/20 0.45
RXRA P19793 12/20 0.44
RXRB P28702 4/20 0.40
RXRG P48443 4/20 0.40
PPARG P37231 3/20 0.38
HDAC11 Q96DB2 2/20 0.38
MEN1 O00255 1/20 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
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7683390 1.00 RARG (0.46) RARGRARARARBIKBKBRXRA
SCHEMBL7684895 0.90 RARA (0.42) RARGRARARARBIKBKBRXRA
SCHEMBL8562866 0.86 RARA (0.62) RARGRARARARBIKBKBRXRA
SCHEMBL7686288 0.85 RARA (0.48) RARGRARARARBIKBKBPPARG
SCHEMBL7686279 0.85 RARA (0.48) RARGRARARARBIKBKBPPARG
SCHEMBL7685442 0.85 RARA (0.62) RARGRARARARBIKBKBRXRA
SCHEMBL7159498 0.85 RARA (0.62) RARGRARARARBIKBKBRXRA
SCHEMBL7685449 0.85 RARA (0.62) RARGRARARARBIKBKBRXRA
SCHEMBL7159499 0.85 RARA (0.62) RARGRARARARBIKBKBRXRA
SCHEMBL7686259 0.84 RARG (0.50) RARGRARARARBIKBKBRXRA

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 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
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