SCHEMBL8398381

SCHEMBL8398381

CC(C)(C)[Si](C)(C)Oc1cc(C=O)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.37
RARA P10276 6/20 0.37
RARG P13631 5/20 0.37
HDAC11 Q96DB2 5/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC7 Q8WUI4 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 2/20 0.33
GPR55 Q9Y2T6 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
TRIM24 O15164 1/20 0.33
HPGD P15428 1/20 0.33
ALDH5A1 P51649 1/20 0.33
ABAT P80404 1/20 0.33
TRIM33 Q9UPN9 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
SCHEMBL8766824 0.91 RARA (0.41) RARBRARARARGHDAC11HDAC2
SCHEMBL404472 0.85 HDAC11 (0.49) RARBRARARARGHDAC11HDAC2
SCHEMBL5828071 0.83 HDAC11 (0.41) RARBRARARARGHDAC11HDAC2
SCHEMBL8434046 0.82 RARA (0.59) RARBRARARARGHDAC11HDAC2
SCHEMBL8434049 0.82 RARA (0.59) RARBRARARARGHDAC11HDAC2
SCHEMBL6618558 0.82 HDAC11 (0.42) RARBRARARARGHDAC11HDAC2
SCHEMBL3313281 0.82 HDAC11 (0.32) RARBRARARARGHDAC11HDAC2
SCHEMBL8521094 0.81 ALDH1A1 (0.51) RARBRARARARGHDAC11HDAC2
SCHEMBL8796347 0.81 RARA (0.31) RARBRARARARGTDP1MEN1
SCHEMBL13330393 0.79 HTT (0.35) ALDH1A1TSHRKDM4EMEN1KMT2A

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
EP-0776881-B1 Bi-aromatic compounds comprising an adamantyl group in para-position, pharmaceutical and cosmetic compositions containing them and their utilization CIRD GALDERMA (FR) 1999-12-08 EP disclosed
US-5877342-A SKIN DISORDERS; RESPIRATORY SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUIES GALDERMA (FR) 1999-03-02 US disclosed
EP-0776881-A1 Bi-aromatic compounds comprising an adamantyl group in para-position, pharmaceutical and cosmetic compositions containing them and their utilization CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-06-04 EP disclosed