SCHEMBL8568401

SCHEMBL8568401

COCCOCOc1ccc(C#COC(=O)c2ccccc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARA P10276 7/20 0.56
IKBKB O14920 4/20 0.56
RARG P13631 9/20 0.40
RARB P10826 5/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
PGR P06401 1/20 0.40
HSPD1 P10809 1/20 0.40
GOT1 P17174 1/20 0.40
GLRA1 P23415 1/20 0.40
BLM P54132 1/20 0.40
HSPE1 P61604 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
S1PR1 P21453 1/20 0.39
HIF1A Q16665 2/20 0.36

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
SCHEMBL8394298 0.93 RARA (0.50) RARAIKBKBRARGRARBMEN1
SCHEMBL8570420 0.90 RARA (0.45) RARAIKBKBRARGRARBMEN1
SCHEMBL8566497 0.89 RARA (0.50) RARAIKBKBRARGRARBMEN1
SCHEMBL8567725 0.86 RARA (0.52) RARAIKBKBRARGRARBMEN1
SCHEMBL8570423 0.86 RARA (0.59) RARAIKBKBRARGRARBMEN1
SCHEMBL8568876 0.85 RARA (0.41) RARAIKBKBRARGRARBMEN1
SCHEMBL8690305 0.85 IKBKB (0.54) RARAIKBKBRARGRARBMEN1
SCHEMBL8690758 0.85 RARA (0.65) RARAIKBKBRARGRARBMEN1
SCHEMBL8617716 0.85 RARA (0.70) RARAIKBKBRARGRARBMEN1
SCHEMBL8570955 0.85 RARA (0.40) 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 3 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-5827500-A TOPICAL SKIN TESTING THE ANIMAL RESPONSES BY APPLYING RETINOIC ACID RECEPTOR AGONIST AND ANTAGONIST CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-10-27 US disclosed
US-5798354-A COSMETIC, THERAPY CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-08-25 US disclosed