SCHEMBL22562879

SCHEMBL22562879

CNCC(O)CC(O)CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
KISS1R Q969F8 2/20 0.45
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ANPEP P15144 1/20 0.34
CARM1 Q86X55 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
HTR1A P08908 1/20 0.31
THPO P40225 1/20 0.31
BLM P54132 1/20 0.31
NMUR2 Q9GZQ4 1/20 0.31
CYP2C9 P11712 1/20 0.31
HIF1A Q16665 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
SLC6A2 P23975 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
SCHEMBL337338 0.92
SCHEMBL1868586 0.92
SCHEMBL4868603 0.92
Hydrochloric Acid SCHEMBL3193718 0.89
SCHEMBL8885445 0.80 KDM4E (0.43) KDM4EKISS1RLMNAALDH1A1CARM1
SCHEMBL14669495 0.80 KDM4E (0.54) KDM4EKISS1RLMNAALDH1A1ANPEP
SCHEMBL12286400 0.80 KISS1R (0.42) KDM4EKISS1RCARM1THRBALOX15
SCHEMBL22321697 0.80 KDM4E (0.54) KDM4EKISS1RLMNAALDH1A1ANPEP
SCHEMBL25978863 0.80 KDM4E (0.54) KDM4EKISS1RLMNAALDH1A1CARM1
SCHEMBL19672397 0.79 KISS1R (0.45) KDM4EKISS1RLMNAALDH1A1ANPEP

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-3386953-B1 CONTRAST AGENTS BRACCO IMAGING SPA (IT) 2020-10-21 EP disclosed