SCHEMBL6947144

SCHEMBL6947144

COC(COc1ccc(F)c(C)c1)OC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38
ADRB3 P13945 2/20 0.35
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
GRIN2B Q13224 2/20 0.33
AKT1 P31749 1/20 0.33
MAPT P10636 1/20 0.33
CARM1 Q86X55 1/20 0.33
GRIN1 Q05586 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 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
SCHEMBL5962530 0.86 MAOB (0.41) HTR2ASLC6A4ADRB3CYP2C9TSHR
SCHEMBL16385735 0.82 LMNA (0.42) KMT2ASMN1; SMN2HTR2ASLC6A4KCNH2
SCHEMBL19121641 0.79 KMT2A (0.39) KMT2ASMN1; SMN2HTR2ASLC6A4KCNH2
SCHEMBL19122238 0.79 KMT2A (0.39) KMT2ASMN1; SMN2HTR2ASLC6A4KCNH2
SCHEMBL19541454 0.76 HTR2A (0.42) KMT2AHTR2ASLC6A4KCNH2RAB9A
SCHEMBL13218297 0.76 TSHR (0.43) KMT2ACYP2C9TSHRMEN1L3MBTL1
SCHEMBL12093486 0.76 NQO1 (0.52) KMT2ASMN1; SMN2HTR2ASLC6A4KCNH2
SCHEMBL773176 0.76 KMT2A (0.68) KMT2ASMN1; SMN2ADRB3TSHRMEN1
SCHEMBL8256695 0.75 PDE2A (0.43) HTR2ASLC6A4KCNH2GRIN2BCARM1
SCHEMBL12804702 0.75 CA12 (0.41) KMT2ACYP2C9TSHRMEN1GRIN2B

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-0901483-B1 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LTD (GB) 2003-07-09 EP disclosed
US-5981572-A Benzofurans and benzopyrans as chronobiological agents GLAXO WELLCOME INC. (US) 1999-11-09 US disclosed
EP-0901483-A2 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LIMITED (GB) 1999-03-17 EP disclosed
WO-1997043272-A2 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LIMITED (GB) 1997-11-20 WO disclosed