SCHEMBL6863410

SCHEMBL6863410

CCCCCCCCCCCCC(CC)(CC(=O)O)C(=O)OCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
MAPT P10636 2/20 0.36
EPHX1 P07099 1/20 0.36
HSPD1 P10809 1/20 0.35
BLM P54132 1/20 0.35
HSPE1 P61604 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
FFAR1 O14842 1/20 0.35
CPT2 P23786 1/20 0.35
PAM P19021 2/20 0.34
ASAH1 Q13510 3/20 0.34
GPR84 Q9NQS5 2/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 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
SCHEMBL6870881 1.00 CYP4F2 (0.42) CYP4F2CYP4A11MAPTEPHX1HSPD1
SCHEMBL6871551 1.00 CYP4F2 (0.42) CYP4F2CYP4A11MAPTEPHX1HSPD1
SCHEMBL6872504 1.00 CYP4F2 (0.42) CYP4F2CYP4A11MAPTEPHX1HSPD1
SCHEMBL6872030 1.00 CYP4F2 (0.42) CYP4F2CYP4A11MAPTEPHX1HSPD1
SCHEMBL6874398 1.00 CYP4F2 (0.42) CYP4F2CYP4A11MAPTEPHX1HSPD1
SCHEMBL6873143 1.00 CYP4F2 (0.42) CYP4F2CYP4A11MAPTEPHX1HSPD1
SCHEMBL6870852 1.00 CYP4F2 (0.42) CYP4F2CYP4A11MAPTEPHX1HSPD1
SCHEMBL6870440 0.99 CYP4F2 (0.43) CYP4F2CYP4A11MAPTEPHX1HSPD1
SCHEMBL6863449 0.94 CYP4F2 (0.41) CYP4F2CYP4A11MAPTEPHX1HSPD1
SCHEMBL2455719 0.89 MAPT (0.42) CYP4F2CYP4A11MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379522-A1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
WO-2002083665-A1 DIHYDRO-BENZO[b][1,4]DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 WO disclosed