SCHEMBL8397927

SCHEMBL8397927

C#Cc1ccc(C23CC4CC(CC(C4)C2)C3)c(OCOC(C)OC)c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.33
RARA P10276 2/20 0.33
S1PR1 P21453 1/20 0.32

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
SCHEMBL8572140 0.91 RARA (0.38) IKBKBRARAS1PR1
SCHEMBL8436371 0.85 S1PR1 (0.34) IKBKBRARAS1PR1
SCHEMBL8571679 0.83 IKBKB (0.32) IKBKBRARAS1PR1
SCHEMBL8398813 0.83 MEN1 (0.36) IKBKBRARA
SCHEMBL8433273 0.82 RARA (0.45) IKBKBRARA
SCHEMBL8397932 0.82 IKBKB (0.48) IKBKBRARAS1PR1
SCHEMBL8568927 0.81 S1PR1 (0.34) IKBKBRARAS1PR1
SCHEMBL8570456 0.80 RARA (0.38) IKBKBRARAS1PR1
SCHEMBL8394244 0.80 RARA (0.38) IKBKBRARA
SCHEMBL8394318 0.79 IKBKB (0.41) IKBKBRARA

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