SCHEMBL7204843

SCHEMBL7204843

Cn1[c]c(-c2ccc3c(c2)OCO3)c(OCCO)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
KCNH2 Q12809 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
FYN P06241 7/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK14 Q16539 1/20 0.38
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
TMEM97 Q5BJF2 1/20 0.36

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
SCHEMBL6288875 0.76 KMT2A (0.45) MAPTKMT2AUSP2KCNH2HRH3
SCHEMBL7345416 0.68 MAOB (0.68) MAPTKMT2AKCNH2HRH3NPC1
SCHEMBL4321060 0.68 MAOB (0.68) MAPTKMT2AKCNH2HRH3NPC1
SCHEMBL6289234 0.65 RIPK2 (0.44) MAPTKMT2AUSP2NPC1RAB9A
SCHEMBL3544523 0.65 ADORA1 (0.59) MAPTKMT2AUSP2NPC1SMN1; SMN2
SCHEMBL6288946 0.65 GABRP (0.51) MAPTKMT2AUSP2TP53KDM4E
SCHEMBL3549098 0.65 ADORA1 (0.72) MAPTKMT2AUSP2NPC1SMN1; SMN2
SCHEMBL8305540 0.62 GABRA1 (0.46) MAPTKMT2AKCNH2HRH3NPC1
SCHEMBL8305543 0.62 GABRA1 (0.46) MAPTKMT2AKCNH2HRH3NPC1
SCHEMBL595070 0.61 MAOB (0.66) MAPTKMT2AKCNH2HRH3NPC1

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
US-6610518-B2 Using Cytochrome p450 PFIZER INC. 2003-08-26 US claimed
US-20020012977-A1 Enzymatic oxidations PFIZER PRODUCTS INC. 2002-01-31 US claimed
EP-1160331-A1 Enzymatic oxidations Pfizer Limited (GB) 2001-12-05 EP claimed
US-6610518-B2 Using Cytochrome p450 PFIZER INC. 2003-08-26 US disclosed
US-20020012977-A1 Enzymatic oxidations PFIZER PRODUCTS INC. 2002-01-31 US disclosed
EP-1160331-A1 Enzymatic oxidations Pfizer Limited (GB) 2001-12-05 EP disclosed