SCHEMBL6446902

SCHEMBL6446902

COc1cc(Br)c(O)c(C(Br)C=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.40
PRKACA P17612 1/20 0.40
PRKACG P22612 1/20 0.40
PRKACB P22694 1/20 0.40
ERN1 O75460 6/20 0.38
ALOX5 P09917 1/20 0.37
PTGS2 P35354 1/20 0.37
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TRIM24 O15164 1/20 0.34
TYR P14679 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
PTPN1 P18031 1/20 0.34
LRRK2 Q5S007 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL23674808 0.76 ALDH1A1 (0.41) LCKPRKACAPRKACGPRKACBERN1
SCHEMBL3814337 0.75 ERN1 (0.37) LCKERN1CA1CA2PTPN1
SCHEMBL22336337 0.75 ALOX5 (0.41) LCKPRKACAPRKACGPRKACBALOX5
SCHEMBL5760032 0.73 TYR (0.53) ERN1KDM4EGAATRIM24TYR
SCHEMBL1119249 0.73 ALOX5 (0.54) LCKPRKACAPRKACGPRKACBALOX5
SCHEMBL931983 0.72 ERN1 (0.60) ERN1TRIM24TYRTRIM33
SCHEMBL2928368 0.71 HTT (0.58) GAACA1CA2THRBMEN1
SCHEMBL28963070 0.71 HTT (0.58) GAACA1CA2THRBMEN1
SCHEMBL1162537 0.71 ALDH1A1 (0.46) ERN1ALOX5PTGS2ABL1BCR
SCHEMBL20551547 0.70 HTT (0.42) ERN1CA1CA2TRIM24TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583742-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
WO-2004060870-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO disclosed