SCHEMBL6131877

SCHEMBL6131877

COc1cc(Br)c(CBr)c(Br)c1O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.49
ALOX5 P09917 1/20 0.48
PTGS2 P35354 1/20 0.48
AKR1B1 P15121 3/20 0.42
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
CA9 Q16790 2/20 0.37
CA12 O43570 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
EGFR P00533 1/20 0.37

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
SCHEMBL16978279 0.85 ERN1 (0.49) ERN1ALOX5PTGS2AKR1B1CA1
SCHEMBL4779892 0.78 AKR1B1 (0.68) ERN1ALOX5PTGS2AKR1B1CA1
SCHEMBL6643677 0.69 ALDH1A1 (0.48) CA1CA2POLBL3MBTL1CA9
SCHEMBL12584704 0.68 PTGS2 (0.50) ERN1ALOX5PTGS2AKR1B1CA1
SCHEMBL6131792 0.68 ALOX15 (0.44) ALOX5PTGS2CA1CA2ALOX15
SCHEMBL8137804 0.67 DRD4 (0.36) CA1CA2
SCHEMBL1620685 0.67 ALOX5 (0.53) ERN1ALOX5PTGS2AKR1B1CA1
SCHEMBL9850658 0.67 ACHE (0.36) ALOX15ALOX12
SCHEMBL16096690 0.67 POLB (0.38) ERN1ALOX5PTGS2CA1CA2
SCHEMBL17410779 0.66 ALOX5 (0.52) ERN1ALOX5PTGS2AKR1B1CA1

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-1032559-A4 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2005-05-25 EP disclosed
US-6479495-B1 SIMULTANEOUSLY TREATING DEPRESSION AND MEMORY DYSFUNCTION IN MAMMALS SUFFERING FROM MEMORY DYSFUNCTION AND DEPRESSION AVENTIS PHARMACEUTICALS INC. 2002-11-12 US disclosed
EP-1032559-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2000-09-06 EP disclosed
WO-1999016746-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 1999-04-08 WO disclosed