SCHEMBL8617047

SCHEMBL8617047

CCOC(Cc1ccc(C#Cc2ccc(C(=O)O)cc2)cc1C12CC3CC(CC(C3)C1)C2)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.44
RARG P13631 13/20 0.44
RARA P10276 12/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
PGR P06401 1/20 0.41
HSPD1 P10809 1/20 0.41
GOT1 P17174 1/20 0.41
GLRA1 P23415 1/20 0.41
BLM P54132 1/20 0.41
HSPE1 P61604 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP26A1 O43174 1/20 0.41
CYP3A4 P08684 1/20 0.41
CRABP2 P29373 1/20 0.41
IKBKB O14920 2/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 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
SCHEMBL8620348 0.91 RARB (0.42) RARBRARGRARAMEN1KMT2A
SCHEMBL8568872 0.87 RARB (0.36) RARBRARGRARAMEN1KMT2A
SCHEMBL8620103 0.85 RARB (0.46) RARBRARGRARAMEN1KMT2A
SCHEMBL8617711 0.81 RARA (0.48) RARBRARGRARAMEN1KMT2A
SCHEMBL8433276 0.79 RARA (0.44) RARBRARGRARAMEN1KMT2A
SCHEMBL8568453 0.78 RARB (0.34) RARBRARGRARAMEN1KMT2A
SCHEMBL27437193 0.78 RARA (0.53) RARBRARGRARAMEN1KMT2A
SCHEMBL6378784 0.78 RARB (0.56) RARBRARGRARAMEN1KMT2A
SCHEMBL8616987 0.77 RARA (0.65) RARBRARGRARAMEN1KMT2A
SCHEMBL8617050 0.77 RARA (0.51) RARBRARGRARAMEN1KMT2A

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-0679631-B1 Biaromatic acetylated, an adamantyl group containing compounds, pharmaceutical and cosmetic compositions containing them and their use CIRD GALDERMA (FR) 1998-05-06 EP claimed
US-5574036-A Adamantyl-substituted polycyclic acetylene compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1996-11-12 US claimed
US-5574036-A Adamantyl-substituted polycyclic acetylene compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1996-11-12 US disclosed