SCHEMBL8562866

SCHEMBL8562866

COCCOCOc1ccc(C(C)=CC=CC(C)=CC(=O)O)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RARA P10276 12/20 0.62
IKBKB O14920 4/20 0.62
RARB P10826 10/20 0.47
RARG P13631 10/20 0.47
RXRA P19793 9/20 0.45
RXRB P28702 4/20 0.41
RXRG P48443 4/20 0.41
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL7683402 0.86 RARG (0.46) RARAIKBKBRARBRARGRXRA
SCHEMBL7683390 0.86 RARG (0.46) RARAIKBKBRARBRARGRXRA
SCHEMBL7159498 0.86 RARA (0.62) RARAIKBKBRARBRARGRXRA
SCHEMBL7685442 0.86 RARA (0.62) RARAIKBKBRARBRARGRXRA
SCHEMBL7685449 0.86 RARA (0.62) RARAIKBKBRARBRARGRXRA
SCHEMBL7159499 0.86 RARA (0.62) RARAIKBKBRARBRARGRXRA
SCHEMBL7686286 0.85 RARA (0.63) RARAIKBKBRARBRARGHDAC11
SCHEMBL5888172 0.81 RARA (0.77) RARAIKBKBRARBRARG
SCHEMBL5888298 0.81 RARA (0.68) RARAIKBKBRARBRARG
SCHEMBL7686259 0.81 RARG (0.50) RARAIKBKBRARBRARGRXRA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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