SCHEMBL8441007

SCHEMBL8441007

CCCC([C]=O)C(=O)CCCCBr

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.36
FAAH O00519 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 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
SCHEMBL758897 0.85 CES2 (0.41) CES2ALDH1A1
SCHEMBL6470540 0.81 CES2 (0.36) CES2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL4460608 0.79 CES2 (0.48) CES2FAAHLMNAMEN1MAPK1
SCHEMBL7477391 0.78
SCHEMBL11540653 0.78 CES2 (0.52) CES2
SCHEMBL9119248 0.78 CES2 (0.52) CES2
SCHEMBL4958852 0.78 CES2 (0.52) CES2
SCHEMBL693122 0.78 CES2 (0.52) CES2
SCHEMBL10722450 0.78 CES2 (0.52) CES2
SCHEMBL11229618 0.78 CES2 (0.52) CES2

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-0891336-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1999-01-20 EP disclosed
WO-1997035845-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-10-02 WO disclosed