SCHEMBL7795292

SCHEMBL7795292

O=C(O)c1ccc(C23CC4CC(CC(C4)C2)C3)c(O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 9/20 0.63
RARA P10276 9/20 0.63
RARB P10826 8/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
KDM4E B2RXH2 2/20 0.63
MAPT P10636 2/20 0.63
ALDH1A1 P00352 1/20 0.63
TP53 P04637 1/20 0.63
CYP3A4 P08684 1/20 0.63
HPGD P15428 1/20 0.63
ALOX15 P16050 1/20 0.63
ALOX12 P18054 1/20 0.63
MAPK1 P28482 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
HSD17B10 Q99714 1/20 0.63
THRB P10828 1/20 0.61
RECQL P46063 1/20 0.61
NR2E1 Q9Y466 1/20 0.61
IKBKB O14920 3/20 0.53

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
SCHEMBL7757395 0.87 RARA (0.75) RARGRARARARBMEN1KMT2A
SCHEMBL8431773 0.84 RARA (0.81) RARGRARARARBMEN1KMT2A
SCHEMBL8431769 0.84 RARA (0.81) RARGRARARARBMEN1KMT2A
SCHEMBL5834539 0.84 RARG (0.56) RARGRARARARBMEN1KMT2A
SCHEMBL8435247 0.83 CYP3A4 (0.58) RARGRARARARBMEN1KMT2A
SCHEMBL566894 0.82 CA12 (0.53) RARGRARARARBMEN1KMT2A
SCHEMBL9123449 0.81 RARG (0.56) RARGRARARARBMEN1KMT2A
SCHEMBL5834424 0.81 RARG (0.56) RARGRARARARBMEN1KMT2A
SCHEMBL28598962 0.79 RARG (0.54) RARGRARARARBMEN1KMT2A
SCHEMBL566680 0.79 RARG (0.66) RARGRARARARBMEN1KMT2A

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 3 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
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