SCHEMBL7796798

SCHEMBL7796798

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 2/20 0.47
RARA P10276 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
RARG P13631 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
AMY1A P0DUB6 2/20 0.43
IKBKB O14920 2/20 0.42
CHEK2 O96017 3/20 0.40
HDAC3 O15379 2/20 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
SCHEMBL7796793 0.92 RARB (0.47) RARBKDM4EALDH1A1TP53HPGD
SCHEMBL7786953 0.90 AMY1A (0.50) RARBKDM4EALDH1A1TP53HPGD
SCHEMBL7795169 0.88 TP53 (0.52) RARBKDM4EALDH1A1TP53HPGD
SCHEMBL7047540 0.85 RARB (0.50) RARBKDM4EALDH1A1TP53HPGD
SCHEMBL7786948 0.83 RARB (0.44) RARBKDM4EALDH1A1TP53HPGD
SCHEMBL7786885 0.82 CHEK1 (0.50) RARBKDM4EALDH1A1TP53HPGD
SCHEMBL8321300 0.82 RARA (0.64) RARBKDM4EALDH1A1TP53HPGD
SCHEMBL7795164 0.80 MEN1 (0.45) RARBKDM4EALDH1A1TP53HPGD
SCHEMBL9286338 0.79 SMN1; SMN2 (0.47) RARBKDM4EALDH1A1TP53HPGD
SCHEMBL7786850 0.77 NPC1 (0.53) RARBKDM4EALDH1A1TP53HPGD

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