SCHEMBL12801012

SCHEMBL12801012

CCn1cc(-c2ccc(O)cc2)c(-c2c(C)noc2C)c1C=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.47
ERN1 O75460 5/20 0.44
MLYCD O95822 2/20 0.41
BRD2 P25440 3/20 0.37
BRD3 Q15059 2/20 0.36
CREBBP Q92793 1/20 0.35

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
SCHEMBL1670786 0.87 MLYCD (0.39) BRD4ERN1MLYCDBRD2CREBBP
SCHEMBL1670785 0.87 MLYCD (0.39) BRD4ERN1MLYCDBRD2CREBBP
SCHEMBL12800997 0.82 BRD4 (0.42) BRD4ERN1MLYCDBRD2
SCHEMBL1670399 0.77 TLR8 (0.39) BRD4ERN1MLYCDBRD2CREBBP
SCHEMBL1670398 0.77 TLR8 (0.39) BRD4ERN1MLYCDBRD2CREBBP
SCHEMBL12362813 0.72 BRD4 (0.66) BRD4ERN1MLYCDBRD2CREBBP
SCHEMBL1670718 0.72 TLR8 (0.41) BRD4MLYCDBRD2CREBBP
SCHEMBL1670714 0.72 TLR8 (0.41) BRD4MLYCDBRD2CREBBP
SCHEMBL12800998 0.71 BRD4 (0.45) BRD4ERN1MLYCDBRD2CREBBP
Hydrochloric Acid SCHEMBL23174957 0.71 BRD4 (0.63) BRD4ERN1MLYCDBRD2CREBBP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011042477-A1 SUBSTITUTED PYRROLES AND IMIDAZOLES AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO disclosed