SCHEMBL8458491

SCHEMBL8458491

CC1(C)CCc2ccc(C(=O)O)cc2CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
KDM4E B2RXH2 2/20 0.55
MAPT P10636 2/20 0.55
POLB P06746 1/20 0.55
BLM P54132 1/20 0.55
GRM1 Q13255 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
RXRA P19793 7/20 0.55
KDM1A O60341 2/20 0.50
RARB P10826 7/20 0.46
RARG P13631 6/20 0.46
RARA P10276 4/20 0.46
RXRB P28702 4/20 0.45
RXRG P48443 3/20 0.45
CYP26A1 O43174 1/20 0.45
CYP26B1 Q9NR63 1/20 0.45

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
SCHEMBL9418960 0.86 MAPT (0.55) ALDH1A1KDM4EMAPTPOLBBLM
SCHEMBL9418965 0.83 RARB (0.64) ALDH1A1KDM4EPOLBBLMCYP2C19
SCHEMBL9418967 0.83 RARB (0.64) ALDH1A1KDM4EPOLBBLMCYP2C19
SCHEMBL9477896 0.82 ALDH1A1 (0.83) ALDH1A1KDM4EMAPTPOLBBLM
Hydrochloric Acid SCHEMBL10587733 0.81 ALDH1A1 (0.80) ALDH1A1KDM4EMAPTPOLBBLM
SCHEMBL17551922 0.79 KDM4E (0.60) ALDH1A1KDM4EMAPTPOLBBLM
SCHEMBL18213884 0.79 KDM4E (0.60) ALDH1A1KDM4EMAPTPOLBBLM
SCHEMBL485369 0.79 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTPOLBBLM
SCHEMBL31506355 0.79 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTPOLBBLM
SCHEMBL1713977 0.79 ALDH1A1 (0.92) ALDH1A1KDM4EMAPTPOLBBLM

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 10 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
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
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