SCHEMBL8617050

SCHEMBL8617050

COCCOCCc1ccc(C#Cc2ccc(C(=O)O)cc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 10/20 0.51
IKBKB O14920 4/20 0.51
RARB P10826 11/20 0.45
RARG P13631 11/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
PGR P06401 1/20 0.42
HSPD1 P10809 1/20 0.42
GOT1 P17174 1/20 0.42
GLRA1 P23415 1/20 0.42
BLM P54132 1/20 0.42
HSPE1 P61604 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP26A1 O43174 1/20 0.42
CYP3A4 P08684 1/20 0.42
CRABP2 P29373 1/20 0.42
THRB P10828 1/20 0.38
RECQL P46063 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
SCHEMBL8620351 0.94 RARA (0.49) RARAIKBKBRARBRARGMEN1
SCHEMBL8620109 0.89 RARA (0.48) RARAIKBKBRARBRARGMEN1
SCHEMBL8568876 0.85 RARA (0.41) RARAIKBKBRARBRARGMEN1
SCHEMBL8617716 0.84 RARA (0.70) RARAIKBKBRARBRARGMEN1
SCHEMBL6378784 0.83 RARB (0.56) RARAIKBKBRARBRARGMEN1
SCHEMBL8620103 0.83 RARB (0.46) RARAIKBKBRARBRARGMEN1
SCHEMBL8433279 0.82 RARA (0.62) RARAIKBKBRARBRARGMEN1
SCHEMBL6374116 0.81 RARB (0.66) RARAIKBKBRARBRARGMEN1
SCHEMBL8568455 0.80 IKBKB (0.40) RARAIKBKBRARBRARGMEN1
SCHEMBL8620348 0.79 RARB (0.42) RARAIKBKBRARBRARGMEN1

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