SCHEMBL9856937

SCHEMBL9856937

C=C(C)C(=O)OC(CC)Cn1ccnc1C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.40
ALPG P10696 2/20 0.40
ALPI P09923 1/20 0.40
PLAA Q9Y263 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
GFER P55789 1/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.37
AGER Q15109 1/20 0.37
FDPS P14324 1/20 0.36
NOS1 P29475 1/20 0.34

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
SCHEMBL9856978 0.84 KMT2A (0.41) ALPLALPGALPIPLAAKMT2A
SCHEMBL28388117 0.75 HPGD (0.48) ALPLALPGALPIPLAAKMT2A
SCHEMBL8138464 0.73 ALDH1A1 (0.46) ALPLALPGALPIPLAAKMT2A
SCHEMBL25794057 0.73 KMT2A (0.40) ALPLALPGALPIPLAAKMT2A
SCHEMBL18244273 0.72 TYMP (0.50) HPGD
SCHEMBL13587953 0.72 KMT2A (0.45) ALPLALPGALPIPLAAKMT2A
SCHEMBL9856981 0.71 ALDH1A1 (0.51) KMT2AKDM4EALDH1A1POLBFDPS
SCHEMBL150975 0.71 SLC18A3 (0.35) ALDH1A1
SCHEMBL440616 0.71 TSHR (0.45) ALDH1A1
SCHEMBL9856942 0.70 ALDH1A1 (0.53) KMT2AKDM4EALDH1A1POLBFDPS

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
EP-0407800-A2 Analysis method for determining substances from biological fluids MILES INC. (US) 1991-01-16 EP disclosed