SCHEMBL8620249

SCHEMBL8620249

[C]#Cc1ccc(C23CC4CC(CC(C4)C2)C3)c(OCOCCOC)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.48
RARA P10276 3/20 0.48
RARG P13631 9/20 0.34
RARB P10826 1/20 0.34
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
S1PR1 P21453 1/20 0.32
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8570459 0.91 RARA (0.55) IKBKBRARARARGRARBMEN1
SCHEMBL8397932 0.88 IKBKB (0.48) IKBKBRARARARGRARBMEN1
SCHEMBL8397840 0.84 IKBKB (0.47) IKBKBRARARARGRARBS1PR1
SCHEMBL6033341 0.83 IKBKB (0.49) IKBKBRARARARGRARBMEN1
SCHEMBL6033010 0.82 IKBKB (0.48) IKBKBRARARARGRARBMEN1
SCHEMBL8433279 0.81 RARA (0.62) IKBKBRARARARGRARBMEN1
SCHEMBL6033012 0.81 IKBKB (0.47) IKBKBRARARARGRARBMEN1
SCHEMBL8394251 0.81 IKBKB (0.56) IKBKBRARARARGRARBALDH1A1
SCHEMBL8399153 0.80 IKBKB (0.58) IKBKBRARARARGRARBMEN1
SCHEMBL7753722 0.80 RARA (0.53) IKBKBRARARARGRARBMEN1

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 1 patent. 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