SCHEMBL8613892

SCHEMBL8613892

Oc1ccc(C#Cc2cccs2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
RARB P10826 6/20 0.39
RARA P10276 5/20 0.39
RARG P13631 4/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ERN1 O75460 1/20 0.38

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
SCHEMBL8618895 0.83 ERN1 (0.44) MEN1KMT2ARARBRARARARG
SCHEMBL6373222 0.77 RARA (0.47) MEN1KMT2APOLBGAAGFER
SCHEMBL8569797 0.75 RARA (0.46) MEN1KMT2APOLBGAAGFER
SCHEMBL6378001 0.74 RARA (0.65) MEN1KMT2ARARBRARARARG
SCHEMBL8570900 0.74 RARB (0.40) MEN1KMT2ARARBRARARARG
SCHEMBL8567746 0.72 RARA (0.47) MEN1KMT2ARARBRARARARG
SCHEMBL8572597 0.71 HIF1A (0.48) MEN1KMT2ARARBRARARARG
SCHEMBL549446 0.70 MEN1 (0.73) MEN1KMT2APOLBGAAGFER
SCHEMBL8567748 0.70 RARB (0.47) MEN1KMT2ARARBRARARARG
SCHEMBL3755595 0.68 MEN1 (0.55) MEN1KMT2APOLBGAAGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0854710-A2 USE OF A $g(g)-RAR-SPECIFIC AGONIST LIGAND TO INCREASE APOPTOSIS RATE CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-07-29 EP claimed
WO-1997013505-A2 USE OF A η-RAR-SPECIFIC AGONIST LIGAND TO INCREASE APOPTOSIS RATE CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-04-17 WO claimed
EP-0854710-A2 USE OF A $g(g)-RAR-SPECIFIC AGONIST LIGAND TO INCREASE APOPTOSIS RATE CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-07-29 EP disclosed
EP-0679631-B1 Biaromatic acetylated, an adamantyl group containing compounds, pharmaceutical and cosmetic compositions containing them and their use CIRD GALDERMA (FR) 1998-05-06 EP disclosed
WO-1997013505-A2 USE OF A η-RAR-SPECIFIC AGONIST LIGAND TO INCREASE APOPTOSIS RATE CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-04-17 WO disclosed
EP-0679631-A1 Biaromatic acetylated, an adamantyl group containing compounds, pharmaceutical and cosmetic compositions containing them and their use CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1995-11-02 EP disclosed