SCHEMBL8695380

SCHEMBL8695380

C/C=C(\OC(=O)c1ccccc1)c1ccc(OCOC)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 7/20 0.51
IKBKB O14920 4/20 0.51
RARB P10826 5/20 0.46
RARG P13631 5/20 0.46
MEN1 O00255 1/20 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
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC11 Q96DB2 2/20 0.38
EGFR P00533 1/20 0.38
S1PR1 P21453 1/20 0.37
HDAC2 Q92769 1/20 0.37
PPARG P37231 3/20 0.36

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
SCHEMBL8692338 0.89 RARA (0.45) RARAIKBKBRARBRARGMEN1
SCHEMBL8691663 0.83 RARA (0.58) RARAIKBKBRARBRARGMEN1
SCHEMBL8690758 0.82 RARA (0.65) RARAIKBKBRARBRARGMEN1
SCHEMBL8426145 0.82 RARA (0.63) RARAIKBKBRARBRARGMEN1
SCHEMBL8396524 0.82 RARA (0.38) RARAIKBKBRARBRARGMEN1
SCHEMBL8691391 0.81 RARA (0.54) RARAIKBKBRARBRARGMEN1
SCHEMBL8428658 0.80 RARA (0.55) RARAIKBKBRARBRARGMEN1
SCHEMBL8695385 0.78 RARA (0.45) RARAIKBKBRARBRARGMEN1
SCHEMBL8839055 0.76 RARA (0.56) RARAIKBKBRARBRARGMEN1
SCHEMBL8690793 0.76 RARA (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5786379-A Adamantyl-substituted biaromatic compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-07-28 US disclosed