SCHEMBL8776319

SCHEMBL8776319

C/C(=C\c1ccccc1Br)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 16/20 0.56
RXRA P19793 15/20 0.56
RARB P10826 14/20 0.56
RARA P10276 13/20 0.56
CYP26A1 O43174 2/20 0.56
KDM4E B2RXH2 1/20 0.56
NPC1 O15118 1/20 0.56
GMNN O75496 1/20 0.56
USP2 O75604 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
POLB P06746 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
NFKB1 P19838 1/20 0.56
CYP2C19 P33261 1/20 0.56
THPO P40225 1/20 0.56
MTOR P42345 1/20 0.56

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
SCHEMBL8776326 1.00 RARG (0.56) RARGRXRARARBRARACYP26A1
SCHEMBL7621434 0.86 RARG (0.56) RARGRXRARARBRARACYP26A1
SCHEMBL9861787 0.86 RARG (0.56) RARGRXRARARBRARACYP26A1
SCHEMBL7621443 0.86 RARG (0.56) RARGRXRARARBRARACYP26A1
SCHEMBL8776475 0.85 RARG (0.55) RARGRXRARARBRARACYP26A1
SCHEMBL8776477 0.85 RARG (0.55) RARGRXRARARBRARACYP26A1
SCHEMBL6257667 0.82 RARG (0.65) RARGRXRARARBRARACYP26A1
SCHEMBL32671443 0.82 RARG (0.65) RARGRXRARARBRARACYP26A1
SCHEMBL8198622 0.82 RARG (0.65) RARGRXRARARBRARACYP26A1
Temarotene SCHEMBL7544424 0.81 RARG (0.77) RARGRXRARARBRARACYP26A1

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 13 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-0303186-B1 Aryl phosphorus derivatives, their preparation and their use BASF AG (DE) 1993-11-10 EP 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-4918212-A Arylphosphorus derivatives BASF AKTIENGESELLSCHAFT (DE) 1990-04-17 US disclosed
US-4870219-A NEOPLASMS, DERMATOSES HOFFMANN-LA ROCHE INC. (US) 1989-09-26 US disclosed
EP-0303186-A2 Aryl phosphorus derivatives, their preparation and their use BASF Aktiengesellschaft (DE) 1989-02-15 EP disclosed