SCHEMBL8776544

SCHEMBL8776544

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 14/20 0.65
RARG P13631 13/20 0.65
RXRA P19793 12/20 0.65
RXRB P28702 8/20 0.65
RXRG P48443 6/20 0.65
RARA P10276 11/20 0.64
CYP26A1 O43174 4/20 0.64
CYP26B1 Q9NR63 1/20 0.64
CYP3A4 P08684 3/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
MEN1 O00255 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
CRABP2 P29373 1/20 0.55
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 1/20 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
SCHEMBL8459941 0.93 RARB (0.61) RARBRARGRXRARXRBRXRG
SCHEMBL13668350 0.89 RARB (0.57) RARBRARGRXRARXRBRXRG
SCHEMBL31534578 0.89 RARB (0.57) RARBRARGRXRARXRBRXRG
SCHEMBL8523097 0.89 RARB (0.83) RARBRARGRXRARXRBRXRG
SCHEMBL29827631 0.89 RARB (0.81) RARBRARGRXRARXRBRXRG
SCHEMBL846110 0.89 RARB (0.81) RARBRARGRXRARXRBRXRG
Hydrochloric Acid SCHEMBL9120757 0.87 RARB (0.78) RARBRARGRXRARXRBRXRG
SCHEMBL5081190 0.85 RXRA (0.83) RARBRARGRXRARXRBRXRG
SCHEMBL5081204 0.85 RXRA (0.83) RARBRARGRXRARXRBRXRG
Hydrazine SCHEMBL9430381 0.85 RARB (0.76) RARBRARGRXRARXRBRXRG

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-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
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