SCHEMBL8566699

SCHEMBL8566699

O=C(O)c1ccccc1C#Cc1ccc(OCC(O)CO)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.56
RARG P13631 5/20 0.56
RARA P10276 4/20 0.56
VDR P11473 1/20 0.38
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NR1I2 O75469 1/20 0.36
PGR P06401 1/20 0.36
HSPD1 P10809 1/20 0.36
GOT1 P17174 1/20 0.36
GLRA1 P23415 1/20 0.36
BLM P54132 1/20 0.36
HSPE1 P61604 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
IKBKB O14920 2/20 0.35
KDM4E B2RXH2 1/20 0.35
S1PR1 P21453 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
SCHEMBL8570986 0.90 RARA (0.45) RARBRARGRARAHIF1AEPAS1
SCHEMBL8570953 0.86 RARA (0.39) RARBRARGRARAHIF1AEPAS1
SCHEMBL8614492 0.86 RARB (0.68) RARBRARGRARAVDRLMNA
SCHEMBL8567955 0.85 FAAH (0.47) RARBRARGRARAHIF1AEPAS1
SCHEMBL8568931 0.84 RARA (0.40) RARBRARGRARAHIF1AEPAS1
SCHEMBL8566037 0.84 FAAH (0.42) RARBRARGRARAHIF1AEPAS1
SCHEMBL8567722 0.83 RARA (0.51) RARBRARGRARAHIF1AEPAS1
SCHEMBL8568811 0.83 RARB (0.57) RARBRARGRARAVDRLMNA
SCHEMBL8570613 0.83 RARA (0.38) RARBRARGRARAHIF1AEPAS1
SCHEMBL8567783 0.82 CNR2 (0.47) RARBRARGRARALMNAMEN1

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-5798354-A COSMETIC, THERAPY CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-08-25 US claimed
US-5798354-A COSMETIC, THERAPY CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-08-25 US disclosed