SCHEMBL8566497

SCHEMBL8566497

COCCOCOc1cc(OC)c(C#COC(=O)c2ccccc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.50
IKBKB O14920 4/20 0.50
RARG P13631 6/20 0.38
RARB P10826 4/20 0.38
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
PGR P06401 1/20 0.38
HSPD1 P10809 1/20 0.38
GOT1 P17174 1/20 0.38
GLRA1 P23415 1/20 0.38
BLM P54132 1/20 0.38
HSPE1 P61604 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
S1PR1 P21453 1/20 0.37
HIF1A Q16665 3/20 0.35
EPAS1 Q99814 1/20 0.34

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
SCHEMBL8568401 0.89 RARA (0.56) RARAIKBKBRARGRARBMEN1
SCHEMBL8394298 0.89 RARA (0.50) RARAIKBKBRARGRARBMEN1
SCHEMBL8565821 0.87 MEN1 (0.46) RARARARGRARBMEN1NR1I2
SCHEMBL9090600 0.85 IKBKB (0.51) RARAIKBKBRARGRARBMEN1
SCHEMBL8617074 0.84 RARA (0.60) RARAIKBKBRARGRARBMEN1
SCHEMBL8690960 0.83 IKBKB (0.50) RARAIKBKBRARGRARBMEN1
SCHEMBL8397795 0.83 IKBKB (0.48) RARAIKBKBRARGRARBLMNA
SCHEMBL8572743 0.80 CNR2 (0.43) RARARARGRARBMEN1NR1I2
SCHEMBL8397877 0.80 IKBKB (0.48) RARAIKBKBRARGRARBMEN1
SCHEMBL8690305 0.80 IKBKB (0.54) 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-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