SCHEMBL6536090

SCHEMBL6536090

CCOC(C#CCSCC#CC(OCC)c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.32
KCNH2 Q12809 4/20 0.32
HTT P42858 2/20 0.32
HTR2A P28223 3/20 0.31
TAAR1 Q96RJ0 1/20 0.31
SCN1A P35498 2/20 0.31
SCN2A Q99250 2/20 0.31
SCN3A Q9NY46 2/20 0.31
MIF P14174 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL18845452 0.80 L3MBTL1 (0.39) MEN1KMT2ASMN1; SMN2L3MBTL1POLB
SCHEMBL7701505 0.76 KMT2A (0.57) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL27836981 0.73 TSHR (0.42) MEN1KMT2ASMN1; SMN2L3MBTL1POLB
SCHEMBL8536881 0.73 L3MBTL1 (0.43) MEN1KMT2ASMN1; SMN2L3MBTL1POLB
SCHEMBL9165581 0.73 L3MBTL1 (0.43) MEN1KMT2ASMN1; SMN2L3MBTL1POLB
SCHEMBL1200547 0.73 TSHR (0.42) MEN1KMT2ASMN1; SMN2L3MBTL1POLB
SCHEMBL5243353 0.73 L3MBTL1 (0.39) MEN1KMT2ASMN1; SMN2L3MBTL1POLB
SCHEMBL9165582 0.73 L3MBTL1 (0.43) MEN1KMT2ASMN1; SMN2L3MBTL1POLB
SCHEMBL27191 0.65 ACHE (0.47) SMN1; SMN2L3MBTL1POLBLMNAKCNH2
SCHEMBL3992907 0.65 SCN1A (0.55) MEN1KMT2ASMN1; SMN2L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958275-A4 SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 UNIV VANDERBILT (US) 2004-12-01 EP claimed
EP-0958275-A1 SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 VANDERBILT UNIVERSITY (US) 1999-11-24 EP claimed
WO-1998029382-A1 SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 VANDERBILT UNIVERSITY (US) 1998-07-09 WO claimed