SCHEMBL6036662

SCHEMBL6036662

CCCCC(=O)OC(N)(N)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KIF11 P52732 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
PTGS2 P35354 1/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL27870286 0.79 CES2 (0.47) KDM4EMEN1RECQLKMT2ACES2
SCHEMBL7159888 0.77 CYP1A2 (0.41) KDM4EMEN1RECQLKMT2ACES2
SCHEMBL28469181 0.77 CES2 (0.49) KDM4EMEN1RECQLKMT2ACES2
SCHEMBL30074233 0.76 CES2 (0.47) KDM4EMEN1RECQLKMT2ACES2
SCHEMBL10859890 0.76 MEN1 (0.43) KDM4EMEN1RECQLKMT2ACES2
Hydrochloric Acid SCHEMBL28897673 0.75 CES2 (0.46) KDM4EMEN1RECQLKMT2ACES2
SCHEMBL20564183 0.75 SOAT1 (0.52) KDM4ERECQLKMT2ACYP1A2CYP2C19
SCHEMBL28773127 0.74 KDM4E (0.42) KDM4EMEN1RECQLKMT2ACES2
SCHEMBL29640504 0.73 MAPK1 (0.48) KDM4EMEN1RECQLKMT2ACES2
SCHEMBL27670259 0.73 AKR1B1 (0.42) KDM4EMEN1RECQLKMT2AKIF11

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-1623223-A2 FLUORESCENTLY TAGGED LIGANDS THE UNIVERSITY OF NOTTINGHAM (GB) 2006-02-08 EP disclosed
WO-2004088312-A2 FLUORESCENTLY TAGGED LIGANDS UNIVERSITY OF NOTTINGHAM (GB) 2004-10-14 WO disclosed