SCHEMBL9446600

SCHEMBL9446600

CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(F)cc3)ccc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.78
CYP26A1 O43174 6/20 0.78
RARB P10826 5/20 0.78
RARG P13631 5/20 0.78
MEN1 O00255 3/20 0.78
KMT2A Q03164 3/20 0.78
CYP3A4 P08684 3/20 0.78
ALDH1A1 P00352 1/20 0.78
CYP1A2 P05177 1/20 0.78
CYP2C9 P11712 1/20 0.78
TSHR P16473 1/20 0.78
MAPK1 P28482 1/20 0.78
CYP2C19 P33261 1/20 0.78
CYP26B1 Q9NR63 3/20 0.69
PGR P06401 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
TBXA2R P21731 1/20 0.65
BLVRB P30043 1/20 0.65
PTPN1 P18031 1/20 0.53
CXCR2 P25025 1/20 0.53

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
SCHEMBL8461304 0.92 RARA (0.78) RARACYP26A1RARBRARGMEN1
SCHEMBL9446476 0.92 RARA (0.65) RARACYP26A1RARBRARGMEN1
SCHEMBL29355626 0.87 RARB (1.00) RARACYP26A1RARBRARGMEN1
SCHEMBL8459704 0.87 RARA (0.80) RARACYP26A1RARBRARGMEN1
SCHEMBL726740 0.87 RARB (1.00) RARACYP26A1RARBRARGMEN1
SCHEMBL9446527 0.87 CYP26A1 (0.80) RARACYP26A1RARBRARGMEN1
SCHEMBL1616121 0.86 CYP26A1 (0.78) RARACYP26A1RARBRARGMEN1
SCHEMBL1616078 0.86 CYP26A1 (0.78) RARACYP26A1RARBRARGMEN1
SCHEMBL7621355 0.86 RARA (0.82) RARACYP26A1RARBRARGMEN1
SCHEMBL8461267 0.85 RARA (0.76) RARACYP26A1RARBRARGMEN1

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
EP-0410358-B1 AROMATIC CARBOXYLIC ACID AMIDES, THEIR PREPARATION AND THEIR USE AS MEDICINES F. HOFFMANN-LA ROCHE AG (CH) 1993-09-29 EP claimed
US-5128470-A Aantiinflammatory, antiallergens HOFFMANN-LA ROCHE INC. (US) 1992-07-07 US claimed
EP-0410358-A1 Aromatic carboxylic acid amides, their preparation and their use as medicines F. HOFFMANN-LA ROCHE AG (CH) 1991-01-30 EP claimed
EP-0410358-B1 AROMATIC CARBOXYLIC ACID AMIDES, THEIR PREPARATION AND THEIR USE AS MEDICINES F. HOFFMANN-LA ROCHE AG (CH) 1993-09-29 EP 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