SCHEMBL8457992

SCHEMBL8457992

O=C(O)/C=C/c1ccc(C(=O)c2ccc3c(c2)C2CCC3C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 2/20 0.54
RARB P10826 2/20 0.54
CYP26A1 O43174 1/20 0.51
SRD5A2 P31213 1/20 0.48
ESR1 P03372 4/20 0.45
CHRNA1 P02708 1/20 0.43
CHRNG P07510 1/20 0.43
CHRNB1 P11230 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
CHRND Q07001 1/20 0.43
HCAR2 Q8TDS4 2/20 0.41
CA12 O43570 2/20 0.41
AKR1B10 O60218 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA3 P07451 2/20 0.41
AKR1B1 P15121 2/20 0.41

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
SCHEMBL8457996 1.00 RARG (0.54) RARGRARBCYP26A1SRD5A2ESR1
SCHEMBL10356221 1.00 RARG (0.54) RARGRARBCYP26A1SRD5A2ESR1
SCHEMBL10355941 0.83 RARG (0.56) RARGRARBCYP26A1SRD5A2CHRNA1
SCHEMBL10355932 0.82 ESR1 (0.52) RARGRARBESR1CHRNA1CHRNG
SCHEMBL10355934 0.82 ESR1 (0.52) RARGRARBESR1CHRNA1CHRNG
SCHEMBL10355933 0.82 ESR1 (0.52) RARGRARBESR1CHRNA1CHRNG
SCHEMBL10933604 0.77 RARG (0.67) RARGRARBSRD5A2CHRNA1CHRNG
SCHEMBL16024192 0.77 SRD5A2 (0.71) CYP26A1SRD5A2ESR1HCAR2CA12
SCHEMBL9749676 0.75 RARG (0.44) RARGRARBCYP26A1CHRNA1CHRNG
SCHEMBL9748436 0.74 RARG (0.56) RARGRARBCYP26A1SRD5A2CHRNA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0260162-B1 BICYCLIC AROMATIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA Groupement d'Intérêt Economique dit: (FR) 1990-11-14 EP 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