SCHEMBL8568570

SCHEMBL8568570

COC(=O)c1ccc(C#Cc2ccc(OCCCO)c(C34CC5CC(CC(C5)C3)C4)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.43
IKBKB O14920 2/20 0.43
RARB P10826 4/20 0.43
RARG P13631 4/20 0.43
MEN1 O00255 1/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
PGR P06401 1/20 0.43
HSPD1 P10809 1/20 0.43
GOT1 P17174 1/20 0.43
GLRA1 P23415 1/20 0.43
BLM P54132 1/20 0.43
HSPE1 P61604 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HIF1A Q16665 6/20 0.42
EPAS1 Q99814 2/20 0.41
MDH1 P40925 1/20 0.41
MDH2 P40926 1/20 0.41
EP300 Q09472 1/20 0.41

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
SCHEMBL8574326 0.96 RARA (0.44) RARAIKBKBRARBRARGMEN1
SCHEMBL8574242 0.91 RARA (0.47) RARAIKBKBRARBRARGMEN1
SCHEMBL8574873 0.90 PPARG (0.46) RARAIKBKBRARBRARGMEN1
SCHEMBL8575202 0.90 PPARG (0.46) RARAIKBKBRARBRARGMEN1
SCHEMBL8570912 0.90 PPARG (0.46) RARAIKBKBRARBRARGMEN1
SCHEMBL8568116 0.90 PPARG (0.46) RARAIKBKBRARBRARGMEN1
SCHEMBL8615155 0.89 RARA (0.49) RARAIKBKBRARBRARGMEN1
SCHEMBL8571354 0.89 RARA (0.43) RARAIKBKBRARBRARGMEN1
SCHEMBL8572221 0.87 RARA (0.55) RARAIKBKBRARBRARGMEN1
SCHEMBL8570423 0.86 RARA (0.59) 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-5798354-A COSMETIC, THERAPY CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-08-25 US disclosed