SCHEMBL7786953

SCHEMBL7786953

CC(=O)Oc1ccc2nc(-c3ccc(OC(C)=O)c(C45CC6CC(CC(C6)C4)C5)c3)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 2/20 0.50
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
NR1I2 O75469 1/20 0.44
PGR P06401 1/20 0.44
RARA P10276 1/20 0.44
HSPD1 P10809 1/20 0.44
RARB P10826 1/20 0.44
RARG P13631 1/20 0.44
GOT1 P17174 1/20 0.44
GLRA1 P23415 1/20 0.44
BLM P54132 1/20 0.44
HSPE1 P61604 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
CHEK2 O96017 7/20 0.40

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
SCHEMBL7786948 0.92 RARB (0.44) AMY1AMEN1LMNAKMT2ANR1I2
SCHEMBL7796798 0.90 RARB (0.47) AMY1AMEN1KMT2ARARARARB
SCHEMBL7786850 0.83 NPC1 (0.53) MEN1LMNAKMT2ANR1I2PGR
SCHEMBL7796793 0.83 RARB (0.47) AMY1AMEN1LMNAKMT2ANR1I2
SCHEMBL6571495 0.81 RARA (0.54) AMY1AMEN1LMNAKMT2ANR1I2
SCHEMBL3807977 0.79 RARA (0.67) MEN1LMNAKMT2ANR1I2PGR
SCHEMBL7795169 0.78 TP53 (0.52) MEN1LMNAKMT2ARARARARB
SCHEMBL7786884 0.78 RARA (0.49) AMY1AMEN1LMNAKMT2ANR1I2
SCHEMBL6535403 0.77 ALOX5 (0.64) AMY1AMEN1LMNAKMT2ANR1I2
SCHEMBL7047540 0.76 RARB (0.50) MEN1LMNAKMT2ANR1I2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643701-B1 BENZIMIDAZOLE-DERIVED COMPOUNDS, METHOD FOR PREPARING SAME, AND THERAPEUTICAL AND COSMETIC USES THEREOF CT INTERNAT DE RECH S BR DERMA (FR) 2001-12-05 EP claimed
US-5446059-A Treating or preventing inflammatory or immunoallergic conditions CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1995-08-29 US claimed
EP-0643701-B1 BENZIMIDAZOLE-DERIVED COMPOUNDS, METHOD FOR PREPARING SAME, AND THERAPEUTICAL AND COSMETIC USES THEREOF CT INTERNAT DE RECH S BR DERMA (FR) 2001-12-05 EP disclosed
US-5446059-A Treating or preventing inflammatory or immunoallergic conditions CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1995-08-29 US disclosed