SCHEMBL9744902

SCHEMBL9744902

O=C(O)N1C(=O)OCC1CC1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.36
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ALOX5 P09917 1/20 0.31
LMNA P02545 1/20 0.31
IDH1 O75874 2/20 0.30
FAAH O00519 1/20 0.30

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
SCHEMBL9744904 1.00 NAAA (0.36) NAAAMEN1MAPTKMT2AATM
SCHEMBL6686977 0.76 POLB (0.36) MEN1MAPTKMT2AATMLMNA
SCHEMBL19806301 0.75
SCHEMBL22708176 0.73 MAPT (0.33) NAAAMEN1MAPTKMT2AATM
SCHEMBL25436787 0.73 PLA2G1B (0.34) NAAAFAAH
SCHEMBL6956924 0.71 MEN1 (0.39) MEN1KMT2A
SCHEMBL16586003 0.69 IDH1 (0.44) NAAAIDH1
SCHEMBL2073646 0.69 IDH1 (0.44) NAAAIDH1
SCHEMBL7306476 0.69 NAAA (0.47) NAAAIDH1FAAH
SCHEMBL3773685 0.67 LMNA (0.47) NAAAMEN1MAPTKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091575-A Renin inhibitor ABBOTT LABORATORIES (US) 1992-02-25 US disclosed