SCHEMBL4373438

SCHEMBL4373438

CCCCCCN(CCNCCNCCN)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 5/20 0.42
PHF8 Q9UPP1 3/20 0.42
KDM4C Q9H3R0 3/20 0.42
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 5/20 0.37
TDP1 Q9NUW8 3/20 0.37
ALOX15 P16050 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
DRD3 P35462 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
SLC6A3 Q01959 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
SCHEMBL11074316 0.98 KDM5A (0.43) KDM5APHF8KDM4CCYP2C19CYP2C9
SCHEMBL11450770 0.98 KDM5A (0.43) KDM5APHF8KDM4CCYP2C19CYP2C9
SCHEMBL11588468 0.88 TSHR (0.39) KDM5APHF8KDM4CCYP2C19TSHR
SCHEMBL11585916 0.88 TSHR (0.39) KDM5APHF8KDM4CCYP2C19TSHR
Glycine SCHEMBL27555602 0.88 KDM5A (0.48) KDM5APHF8KDM4CCYP2C19CYP2C9
Hydrochloric Acid SCHEMBL15263821 0.87 RELA (0.38) CYP2C19TSHRTDP1ALOX15KDM4E
SCHEMBL29127774 0.86 KDM5A (0.54) KDM5APHF8KDM4CTSHRTDP1
Glycine SCHEMBL27518019 0.86 KDM5A (0.47) KDM5APHF8KDM4CCYP2C19CYP2C9
Acetic Acid SCHEMBL28154303 0.86 KDM5A (0.45) KDM5APHF8KDM4CCYP2C19CYP2C9
SCHEMBL133298 0.85 TSHR (0.46) CYP2C19TSHRTDP1ALOX15KDM4E

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
US-20090263332-A1 POLYMER PARTICLE CONTAINING PARAMAGNETIC METAL COMPOUND FUJIFILM CORPORATION (JP) 2009-10-22 US disclosed