SCHEMBL8458889

SCHEMBL8458889

CC1(C)CCC(C)(C)c2cc(C=Cc3ccc(C(=O)Nc4ccc(O)cc4)cc3)ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 12/20 0.63
RARB P10826 12/20 0.63
RARG P13631 12/20 0.63
CYP26A1 O43174 7/20 0.60
CYP3A4 P08684 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 2/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP2C9 P11712 1/20 0.60
TSHR P16473 1/20 0.60
MAPK1 P28482 1/20 0.60
PGR P06401 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
TBXA2R P21731 1/20 0.60
BLVRB P30043 1/20 0.60
CYP26B1 Q9NR63 3/20 0.55
PTPN1 P18031 1/20 0.49
RXRA P19793 3/20 0.47

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
SCHEMBL8458887 1.00 RARA (0.63) RARARARBRARGCYP26A1CYP3A4
SCHEMBL727915 0.86 RARA (0.66) RARARARBRARGCYP26A1CYP3A4
SCHEMBL8461840 0.86 CYP26A1 (0.80) RARARARBRARGCYP26A1CYP3A4
SCHEMBL9446527 0.86 CYP26A1 (0.80) RARARARBRARGCYP26A1CYP3A4
SCHEMBL12646806 0.85 RARG (0.65) RARARARBRARGCYP26A1CYP3A4
SCHEMBL1615305 0.83 RARB (0.74) RARARARBRARGCYP26A1CYP3A4
SCHEMBL1615307 0.83 RARB (0.74) RARARARBRARGCYP26A1CYP3A4
SCHEMBL1615386 0.83 RARB (0.74) RARARARBRARGCYP26A1CYP3A4
SCHEMBL10645941 0.83 RARB (0.68) RARARARBRARGCYP26A1CYP3A4
SCHEMBL10645938 0.83 RARB (0.68) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999048529-A1 RETINOID-GLITAZONE COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-30 WO disclosed
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
US-5489611-A ADMINISTERING A RETINOID COMPOUND WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed