SCHEMBL8776375

SCHEMBL8776375

CC1(C)CC(C)(C)c2ccc(C(=O)Nc3ccccc3)cc2C(C)(C)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 7/20 0.65
RARB P10826 5/20 0.65
RARG P13631 5/20 0.65
CYP26A1 O43174 5/20 0.65
CYP3A4 P08684 3/20 0.65
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
ALDH1A1 P00352 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2C9 P11712 1/20 0.65
TSHR P16473 1/20 0.65
MAPK1 P28482 1/20 0.65
CYP2C19 P33261 1/20 0.65
CYP26B1 Q9NR63 2/20 0.58
PGR P06401 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
TBXA2R P21731 1/20 0.54
BLVRB P30043 1/20 0.54
RORA P35398 1/20 0.50
RORC P51449 1/20 0.50

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
SCHEMBL8522186 0.94 RARA (0.68) RARARARBRARGCYP26A1CYP3A4
SCHEMBL7621355 0.89 RARA (0.82) RARARARBRARGCYP26A1CYP3A4
SCHEMBL9446497 0.82 RARA (0.67) RARARARBRARGCYP26A1CYP3A4
SCHEMBL10541382 0.81 RARB (0.69) RARARARBRARGCYP26A1CYP3A4
SCHEMBL9446476 0.81 RARA (0.65) RARARARBRARGCYP26A1CYP3A4
SCHEMBL8776513 0.80 KMT2A (0.68) RARARARBRARGCYP26A1CYP3A4
SCHEMBL726740 0.79 RARB (1.00) RARARARBRARGCYP26A1CYP3A4
SCHEMBL29355626 0.79 RARB (1.00) RARARARBRARGCYP26A1CYP3A4
SCHEMBL8459941 0.79 RARB (0.61) RARARARBRARGCYP26A1CYP3A4
SCHEMBL8459704 0.76 RARA (0.80) RARARARBRARGCYP26A1CYP3A4

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