SCHEMBL8691114

SCHEMBL8691114

CCOC(OC)Oc1ccc(CC=CNC(=O)c2ccccc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.39
PPARA Q07869 10/20 0.39
PPARD Q03181 7/20 0.39
HDAC11 Q96DB2 1/20 0.36
RARA P10276 3/20 0.36
RARB P10826 2/20 0.36
RARG P13631 2/20 0.36
S1PR1 P21453 1/20 0.36
MEN1 O00255 1/20 0.35
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
PGR P06401 1/20 0.35
HSPD1 P10809 1/20 0.35
GOT1 P17174 1/20 0.35
GLRA1 P23415 1/20 0.35
BLM P54132 1/20 0.35
HSPE1 P61604 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FAAH O00519 1/20 0.35

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
SCHEMBL8692343 0.86 RARA (0.36) PPARGPPARAPPARDHDAC11RARA
SCHEMBL8691119 0.84 IKBKB (0.41) PPARGPPARAPPARDHDAC11RARA
SCHEMBL8696047 0.82 HDAC11 (0.36) PPARGPPARAPPARDHDAC11RARA
SCHEMBL8568604 0.81 S1PR1 (0.38) PPARGPPARAPPARDHDAC11RARA
SCHEMBL8647515 0.81 S1PR1 (0.35) PPARGPPARAPPARDHDAC11RARA
SCHEMBL8694379 0.80 HDAC11 (0.33) HDAC11RARARARBRARGS1PR1
SCHEMBL8396527 0.79 PLA2G4A (0.35) PPARGPPARAPPARDHDAC11RARA
SCHEMBL8570276 0.78 PPARG (0.38) PPARGPPARAPPARDHDAC11RARA
SCHEMBL5888168 0.77 RARB (0.53) PPARGPPARAPPARDHDAC11RARA
SCHEMBL8694759 0.76 RARA (0.44) PPARGPPARAPPARDHDAC11RARA

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