SCHEMBL7796952

SCHEMBL7796952

COc1cc(C(=O)O)cc(C23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.54
CNR2 P34972 4/20 0.54
RARA P10276 2/20 0.49
RARB P10826 2/20 0.49
RARG P13631 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NR1I2 O75469 1/20 0.48
LMNA P02545 1/20 0.48
PGR P06401 1/20 0.48
HSPD1 P10809 1/20 0.48
GOT1 P17174 1/20 0.48
GLRA1 P23415 1/20 0.48
BLM P54132 1/20 0.48
HSPE1 P61604 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SLC6A5 Q9Y345 3/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL9123919 0.92 FAAH (0.55) FAAHCNR2MEN1KMT2ALMNA
SCHEMBL1914138 0.83 FAAH (0.62) FAAHCNR2MEN1KMT2ALMNA
SCHEMBL23801984 0.83 FAAH (0.49) FAAHCNR2RARARARBRARG
SCHEMBL1914055 0.83 FAAH (0.49) FAAHCNR2RARARARBRARG
SCHEMBL2317454 0.81 RXRA (0.61) MEN1KMT2ALMNATDP1SLC6A5
SCHEMBL7793633 0.81 FAAH (0.50) FAAHCNR2RARARARBRARG
SCHEMBL7795284 0.81 RARA (0.53) FAAHCNR2RARARARBRARG
Hydrochloric Acid SCHEMBL9123492 0.80 RARA (0.53) FAAHCNR2RARARARBRARG
Hydrochloric Acid SCHEMBL16143333 0.80 RXRA (0.60) MEN1KMT2ALMNATDP1SLC6A5
SCHEMBL13505368 0.79 HDAC11 (0.46) FAAHCNR2RARARARBRARG

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 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
EP-0643701-A1 BENZIMIDAZOLE-DERIVED COMPOUNDS, METHOD FOR PREPARING SAME, AND THERAPEUTICAL AND COSMETIC USES THEREOF CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1995-03-22 EP disclosed
WO-1992021663-A1 BENZIMIDAZOLE-DERIVED COMPOUNDS, METHOD FOR PREPARING SAME, AND THERAPEUTICAL AND COSMETIC USES THEREOF CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1992-12-10 WO disclosed