SCHEMBL7786877

SCHEMBL7786877

COc1ccc(-c2nc3cc(O)ccc3[nH]2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.49
RARB P10826 3/20 0.49
RARG P13631 3/20 0.49
MEN1 O00255 1/20 0.49
NR1I2 O75469 1/20 0.49
LMNA P02545 1/20 0.49
PGR P06401 1/20 0.49
HSPD1 P10809 1/20 0.49
GOT1 P17174 1/20 0.49
GLRA1 P23415 1/20 0.49
BLM P54132 1/20 0.49
HSPE1 P61604 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HDAC11 Q96DB2 2/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL7786884 0.92 RARA (0.49) RARARARBRARGMEN1NR1I2
SCHEMBL7786833 0.89 AMY1A (0.46) RARARARBRARGMEN1NR1I2
SCHEMBL6535398 0.88 ALOX5 (0.52) RARARARBRARGMEN1NR1I2
SCHEMBL7786848 0.88 LMNA (0.50) RARARARBRARGMEN1NR1I2
SCHEMBL3807973 0.86 RARB (0.67) RARARARBRARGMEN1NR1I2
SCHEMBL7786883 0.86 RARB (0.46) RARARARBRARGMEN1KMT2A
SCHEMBL6571495 0.84 RARA (0.54) RARARARBRARGMEN1NR1I2
SCHEMBL7792900 0.84 CHEK1 (0.39) RARARARBRARGMEN1KMT2A
SCHEMBL7786898 0.82 PDE4A (0.47) RARARARBRARGMEN1NR1I2
SCHEMBL6535403 0.82 ALOX5 (0.64) RARARARBRARGMEN1NR1I2

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