SCHEMBL8568455

SCHEMBL8568455

COCCOCCCc1ccc(C#COC(=O)c2ccccc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.40
RARA P10276 4/20 0.40
RARB P10826 3/20 0.39
RARG P13631 3/20 0.39
HIF1A Q16665 4/20 0.35
LMNA P02545 2/20 0.33
EPHX2 P34913 2/20 0.33
MEN1 O00255 1/20 0.33
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
HSPD1 P10809 1/20 0.33
GOT1 P17174 1/20 0.33
GLRA1 P23415 1/20 0.33
BLM P54132 1/20 0.33
HSPE1 P61604 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EPAS1 Q99814 1/20 0.33

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
SCHEMBL8568876 0.95 RARA (0.41) IKBKBRARARARBRARGHIF1A
SCHEMBL8574332 0.93 RARA (0.39) IKBKBRARARARBRARGHIF1A
SCHEMBL8620351 0.85 RARA (0.49) IKBKBRARARARBRARGLMNA
SCHEMBL8568401 0.84 RARA (0.56) IKBKBRARARARBRARGHIF1A
SCHEMBL8394298 0.82 RARA (0.50) IKBKBRARARARBRARGHIF1A
SCHEMBL8570420 0.81 RARA (0.45) IKBKBRARARARBRARGHIF1A
SCHEMBL8617050 0.80 RARA (0.51) IKBKBRARARARBRARGLMNA
SCHEMBL8567725 0.79 RARA (0.52) IKBKBRARARARBRARGHIF1A
SCHEMBL8620109 0.78 RARA (0.48) IKBKBRARARARBRARGLMNA
SCHEMBL8567748 0.77 RARB (0.47) IKBKBRARARARBRARGLMNA

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