SCHEMBL8690758

SCHEMBL8690758

COCCOCOc1ccc(C(=O)OC(=O)c2ccccc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.65
IKBKB O14920 4/20 0.65
RARG P13631 9/20 0.43
RARB P10826 4/20 0.43
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
HIF1A Q16665 3/20 0.40
EPAS1 Q99814 1/20 0.39

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
SCHEMBL8397839 0.92 IKBKB (0.55) RARAIKBKBRARGRARBMEN1
SCHEMBL19639432 0.89 RARA (0.67) RARAIKBKBRARGRARBMEN1
SCHEMBL8690793 0.89 RARA (0.61) RARAIKBKBRARGRARBMEN1
SCHEMBL5888172 0.88 RARA (0.77) RARAIKBKBRARGRARBMEN1
SCHEMBL8691385 0.87 RARA (0.66) RARAIKBKBRARGRARBMEN1
SCHEMBL8691803 0.86 RARA (0.58) RARAIKBKBRARGRARBMEN1
SCHEMBL8691799 0.86 RARA (0.60) RARAIKBKBRARGRARBMEN1
SCHEMBL5888298 0.86 RARA (0.68) RARAIKBKBRARGRARBMEN1
SCHEMBL8694764 0.86 RARA (0.68) RARAIKBKBRARGRARBMEN1
SCHEMBL8428493 0.85 RARA (0.71) RARAIKBKBRARGRARBMEN1

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 2 patents. 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 claimed
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