SCHEMBL8776477

SCHEMBL8776477

CC(=Cc1ccccc1F)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 16/20 0.55
RARB P10826 14/20 0.55
RXRA P19793 14/20 0.55
RARA P10276 13/20 0.55
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 1/20 0.55
CYP26A1 O43174 1/20 0.55
GMNN O75496 1/20 0.55
USP2 O75604 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
POLB P06746 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
NFKB1 P19838 1/20 0.55
CYP2C19 P33261 1/20 0.55
THPO P40225 1/20 0.55
MTOR P42345 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
SCHEMBL8776475 1.00 RARG (0.55) RARGRARBRXRARARAKDM4E
SCHEMBL8776319 0.85 RARG (0.56) RARGRARBRXRARARAKDM4E
SCHEMBL9861787 0.85 RARG (0.56) RARGRARBRXRARARAKDM4E
SCHEMBL8776326 0.85 RARG (0.56) RARGRARBRXRARARAKDM4E
SCHEMBL7621443 0.85 RARG (0.56) RARGRARBRXRARARAKDM4E
SCHEMBL7621434 0.85 RARG (0.56) RARGRARBRXRARARAKDM4E
SCHEMBL32671443 0.81 RARG (0.65) RARGRARBRXRARARAKDM4E
SCHEMBL8198622 0.81 RARG (0.65) RARGRARBRXRARARAKDM4E
SCHEMBL6257667 0.81 RARG (0.65) RARGRARBRXRARARAKDM4E
Temarotene SCHEMBL7544424 0.80 RARG (0.77) RARGRARBRXRARARAKDM4E

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-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-5055622-A For treating neoplasms and dermatoses HOFFMANN-LA ROCHE INC. (US) 1991-10-08 US disclosed
US-5030764-A Antitumor agents; treatment of skin disorders HOFFMANN-LA ROCHE INC. (US) 1991-07-09 US disclosed
US-5030765-A Skin disorders, anititumor agents HOFFMANN-LA ROCHE INC. (US) 1991-07-09 US disclosed
US-5001276-A Novel tetrahydronaphthalene and indane derivatives HOFFMANN-LA ROCHE INC. (US) 1991-03-19 US disclosed
US-4990703-A Novel tetrahydronaphthalene and indane derivatives HOFFMANN-LA ROCHE INC. (US) 1991-02-05 US disclosed
US-4935560-A ANTITUMOR AGENTS; SKIN DISORDERS HOFFMANN-LA ROCHE INC. (US) 1990-06-19 US disclosed
US-4870219-A NEOPLASMS, DERMATOSES HOFFMANN-LA ROCHE INC. (US) 1989-09-26 US disclosed