SCHEMBL9356159

SCHEMBL9356159

O=C(c1cccc(CO)n1)c1cccc(CO)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ACMSD Q8TDX5 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
BRD4 O60885 1/20 0.42
CCR1 P32246 1/20 0.41
MRGPRX4 Q96LA9 3/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.38
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38
P2RX7 Q99572 2/20 0.37
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
POLB P06746 1/20 0.34
PDE5A O76074 1/20 0.34

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
SCHEMBL11398480 0.87 KMT2A (0.50) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL347912 0.85 KDM4E (0.64) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL1054149 0.83 NPSR1 (0.44) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL30952862 0.83 NPSR1 (0.44) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL2829094 0.83 PIM1 (0.44) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL9360084 0.81 KDM4E (0.41) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL25139435 0.80 CYP1A2 (0.42) KDM4EALOX15TSHRACMSDTDP1
Alcohol SCHEMBL4865562 0.80 NPSR1 (0.42) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL183978 0.79 MRGPRX4 (0.52) BRD4MRGPRX4CYP1A2ADORA2A
SCHEMBL23879790 0.79 BRD4 (0.44) KDM4EALOX15TSHRACMSDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0357731-B1 A NOVEL SPECTROFLUOROMETRIC METHOD AND COMPOUNDS THAT ARE OF VALUE FOR THE METHOD WALLAC OY (FI) 1994-11-30 EP disclosed
US-5216134-A Using two different chelates as probes WALLAC OY (FI) 1993-06-01 US disclosed
EP-0386180-A1 MULTI-LABEL TIME-RESOLVED FLUORESCENCE ANALYSIS OF NUCLEIC ACID SEQUENCES USING LANTHANIDE CHELATES WALLAC OY (FI) 1990-09-12 EP disclosed
EP-0357731-A1 A NOVEL SPECTROFLUOROMETRIC METHOD AND COMPOUNDS THAT ARE OF VALUE FOR THE METHOD. WALLAC OY (FI) 1990-03-14 EP disclosed
WO-1990000623-A1 MULTI-LABEL TIME-RESOLVED FLUORESCENCE ANALYSIS OF NUCLEIC ACID SEQUENCES USING LANTHANIDE CHELATES WALLAC OY (FI) 1990-01-25 WO disclosed
WO-1989008263-A1 A NOVEL SPECTROFLUOROMETRIC METHOD AND COMPOUNDS THAT ARE OF VALUE FOR THE METHOD WALLAC OY (FI) 1989-09-08 WO disclosed