SCHEMBL8776513

SCHEMBL8776513

CC1(C)CC(C)(C)c2cc(NC(=O)c3ccccc3)ccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.68
CYP26A1 O43174 4/20 0.68
RARA P10276 4/20 0.68
RARB P10826 4/20 0.68
RARG P13631 4/20 0.68
MEN1 O00255 3/20 0.68
CYP3A4 P08684 2/20 0.68
PGR P06401 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
TBXA2R P21731 1/20 0.68
BLVRB P30043 1/20 0.68
CYP26B1 Q9NR63 2/20 0.61
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
CYP2C19 P33261 1/20 0.57
NPC1 O15118 9/20 0.55
RAB9A P51151 9/20 0.55

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
SCHEMBL8461601 0.91 CYP26A1 (0.82) KMT2ACYP26A1RARARARBRARG
SCHEMBL9446616 0.87 RARA (0.67) KMT2ACYP26A1RARARARBRARG
SCHEMBL8523087 0.86 RARA (0.65) KMT2ACYP26A1RARARARBRARG
SCHEMBL8522186 0.85 RARA (0.68) KMT2ACYP26A1RARARARBRARG
Tamibarotene SCHEMBL29373818 0.81 RARB (1.00) KMT2ACYP26A1RARARARBRARG
Tamibarotene SCHEMBL36207 0.81 RARB (1.00) KMT2ACYP26A1RARARARBRARG
Tamibarotene SCHEMBL21274219 0.80 RARB (0.85) KMT2ACYP26A1RARARARBRARG
SCHEMBL8776375 0.80 RARA (0.65) KMT2ACYP26A1RARARARBRARG
Tamibarotene SCHEMBL21055743 0.80 RARB (0.97) KMT2ACYP26A1RARARARBRARG
SCHEMBL25970545 0.79 NPC1 (0.51) KMT2ACYP26A1RARARARBRARG

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5216153-A Therapy and prophylaxis for skin, autoimmune and rheumatic diseases HOFFMANN-LA ROCHE INC. (US) 1993-06-01 US claimed
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
US-5216153-A Therapy and prophylaxis for skin, autoimmune and rheumatic diseases HOFFMANN-LA ROCHE INC. (US) 1993-06-01 US disclosed
US-5128470-A Aantiinflammatory, antiallergens HOFFMANN-LA ROCHE INC. (US) 1992-07-07 US disclosed
EP-0410358-A1 Aromatic carboxylic acid amides, their preparation and their use as medicines F. HOFFMANN-LA ROCHE AG (CH) 1991-01-30 EP disclosed