SCHEMBL8566503

SCHEMBL8566503

COc1c(C(=O)O)cc(C23CC4CC(CC(C4)C2)C3)c(OCOC(C)OC)c1C#Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 4/20 0.35
RARB P10826 4/20 0.35
RARG P13631 4/20 0.35
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
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
IKBKB O14920 5/20 0.33
S1PR1 P21453 1/20 0.33
DHODH Q02127 1/20 0.32
CNR2 P34972 2/20 0.32

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
SCHEMBL8394301 0.88 HIF1A (0.36) RARARARBRARGMEN1NR1I2
SCHEMBL8565823 0.87 RARA (0.42) RARARARBRARGMEN1NR1I2
SCHEMBL8567793 0.86 IKBKB (0.42) RARARARGLMNAHIF1AEPAS1
SCHEMBL8397842 0.82 MEN1 (0.31) MEN1KMT2AIKBKB
SCHEMBL8568404 0.80 IKBKB (0.35) RARARARBRARGMEN1NR1I2
SCHEMBL8572746 0.78 CNR2 (0.42) RARARARBRARGMEN1NR1I2
SCHEMBL8573235 0.77 RARA (0.41) RARARARBRARGMEN1NR1I2
SCHEMBL8574908 0.76 IKBKB (0.33) RARALMNAHIF1AEPAS1IKBKB
SCHEMBL8575216 0.75 IKBKB (0.34) RARAMEN1LMNAKMT2AHIF1A
SCHEMBL8433273 0.75 RARA (0.45) RARARARBRARGMEN1NR1I2

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