SCHEMBL8776315

SCHEMBL8776315

COc1ccc(-c2ccccc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.64
RARA P10276 5/20 0.64
RARG P13631 5/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
NR1I2 O75469 1/20 0.64
LMNA P02545 1/20 0.64
PGR P06401 1/20 0.64
HSPD1 P10809 1/20 0.64
GOT1 P17174 1/20 0.64
GLRA1 P23415 1/20 0.64
BLM P54132 1/20 0.64
HSPE1 P61604 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
HDAC11 Q96DB2 4/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58

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
SCHEMBL641031 0.92 RARB (0.67) RARBRARARARGMEN1KMT2A
SCHEMBL566075 0.87 HDAC11 (0.62) RARBRARARARGMEN1KMT2A
SCHEMBL14027627 0.85 RARB (0.82) RARBRARARARGMEN1KMT2A
SCHEMBL5827566 0.83 HDAC11 (0.68) RARBRARARARGMEN1KMT2A
SCHEMBL9078617 0.82 RARA (0.64) RARBRARARARGMEN1KMT2A
SCHEMBL5827886 0.82 RARB (0.70) RARBRARARARGMEN1KMT2A
SCHEMBL25200687 0.81 RARB (0.69) RARBRARARARGMEN1KMT2A
SCHEMBL13550931 0.81 RARB (0.69) RARBRARARARGMEN1KMT2A
SCHEMBL29869357 0.81 RARB (0.69) RARBRARARARGMEN1KMT2A
SCHEMBL10046790 0.81 RARB (0.59) RARBRARARARGMEN1KMT2A

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
EP-0808159-A1 USE OR RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1997-11-26 EP disclosed
WO-1996024344-A1 USE OF RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1996-08-15 WO disclosed