SCHEMBL8522294

SCHEMBL8522294

CC(=Cc1ccccc1)c1ccc2c(c1)N(C)CCC2(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 20/20 0.52
RARB P10826 19/20 0.52
RARA P10276 18/20 0.52
RXRA P19793 9/20 0.52
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
CYP26A1 O43174 1/20 0.52
GMNN O75496 1/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
NFKB1 P19838 1/20 0.52
CYP2C19 P33261 1/20 0.52
THPO P40225 1/20 0.52
MTOR P42345 1/20 0.52

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
SCHEMBL8522292 1.00 RARG (0.52) RARGRARBRARARXRAKDM4E
SCHEMBL9198425 0.94 RARG (0.53) RARGRARBRARARXRAKDM4E
SCHEMBL8776403 0.90 RARB (0.52) RARGRARBRARARXRAKDM4E
SCHEMBL8776406 0.90 RARB (0.52) RARGRARBRARARXRAKDM4E
SCHEMBL8458559 0.89 RARB (0.68) RARGRARBRARARXRAKDM4E
SCHEMBL8458556 0.89 RARB (0.68) RARGRARBRARARXRAKDM4E
SCHEMBL8776455 0.89 RARB (0.53) RARGRARBRARARXRAKDM4E
SCHEMBL9144074 0.81 RARB (0.59) RARGRARBRARARXRAKDM4E
SCHEMBL9144065 0.81 RARB (0.59) RARGRARBRARARXRAKDM4E
SCHEMBL8776409 0.80 RARB (0.52) RARGRARBRARARXRAKDM4E

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 8 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
US-5420273-A Skin disorders and antitumor agents HOFFMAN-LA ROCHE INC. (US) 1995-05-30 US disclosed
US-5300522-A Treating inflammatory, allergic, rheumatic, immunological disorders HOFFMANN-LA ROCHE INC. (US) 1994-04-05 US disclosed
US-5164387-A Antitumor agents, skin disorders, antiinflammatory agents HOFFMANN-LAROCHE INC. (US) 1992-11-17 US disclosed
US-5037825-A Useful In The Treatment Of Neoplasms, Dermatoses And Aging Of The Skin HOFFMANN-LA ROCHE INC. (US) 1991-08-06 US disclosed