SCHEMBL7786833

SCHEMBL7786833

COc1cc(-c2nc3cc(O)ccc3[nH]2)cc(C23CC4CC(CC(C4)C2)C3)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 7/20 0.46
CHEK1 O14757 1/20 0.39
JAK2 O60674 1/20 0.39
CDK4 P11802 1/20 0.39
CCNA2 P20248 1/20 0.39
JAK1 P23458 1/20 0.39
CCND1 P24385 1/20 0.39
CDK2 P24941 1/20 0.39
TYK2 P29597 1/20 0.39
CCND3 P30281 1/20 0.39
KDR P35968 1/20 0.39
JAK3 P52333 1/20 0.39
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
PGR P06401 1/20 0.39
RARA P10276 1/20 0.39
HSPD1 P10809 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39

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
SCHEMBL7786838 0.92 AMY1A (0.54) AMY1ACHEK1JAK2CDK4CCNA2
SCHEMBL7786877 0.89 RARA (0.49) AMY1ACHEK1JAK2CDK4CCNA2
SCHEMBL7786883 0.81 RARB (0.46) AMY1ACHEK1MEN1RARARARB
SCHEMBL7786884 0.80 RARA (0.49) AMY1ACHEK1CDK4CCNA2CCND1
SCHEMBL7792900 0.78 CHEK1 (0.39) AMY1ACHEK1MEN1RARARARB
SCHEMBL6535398 0.77 ALOX5 (0.52) AMY1AMEN1NR1I2LMNAPGR
SCHEMBL7786848 0.77 LMNA (0.50) MEN1NR1I2LMNAPGRRARA
SCHEMBL7795164 0.76 MEN1 (0.45) MEN1NR1I2LMNAPGRRARA
SCHEMBL6571495 0.76 RARA (0.54) AMY1AMEN1NR1I2LMNAPGR
SCHEMBL3807973 0.75 RARB (0.67) MEN1NR1I2LMNAPGRRARA

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