SCHEMBL4023087

SCHEMBL4023087

CCCC(C)C(=O)NC(C(=O)O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
PLA2G2A P14555 1/20 0.47
PLA2G5 P39877 1/20 0.47
ALDH1A1 P00352 4/20 0.43
POLB P06746 2/20 0.43
MME P08473 1/20 0.42
CHRM1 P11229 1/20 0.40
AKR1A1 P14550 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL13963514 0.86 PLA2G2A (0.58) SMN1; SMN2PLA2G2APLA2G5TP53GAA
SCHEMBL3225061 0.86 PLA2G2A (0.58) SMN1; SMN2PLA2G2APLA2G5TP53GAA
SCHEMBL3355578 0.85 HDAC8 (0.50) SMN1; SMN2PLA2G2APLA2G5ALDH1A1POLB
SCHEMBL17953989 0.85 HSD17B10 (0.41) POLBLMNAMAPTMAPK1HSD17B10
SCHEMBL2416451 0.84 SMN1; SMN2 (0.47) SMN1; SMN2PLA2G2APLA2G5ALDH1A1POLB
SCHEMBL2416448 0.84 SMN1; SMN2 (0.47) SMN1; SMN2PLA2G2APLA2G5ALDH1A1POLB
SCHEMBL11410186 0.83 CYP1A2 (0.55) SMN1; SMN2PLA2G2APLA2G5ALDH1A1POLB
SCHEMBL14058740 0.81 DPP8 (0.49) SMN1; SMN2PLA2G2APLA2G5ALDH1A1POLB
SCHEMBL14058739 0.81 DPP8 (0.49) SMN1; SMN2PLA2G2APLA2G5ALDH1A1POLB
SCHEMBL11422020 0.79 FOLH1 (0.44) SMN1; SMN2PLA2G2APLA2G5ALDH1A1POLB

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
WO-2009098451-A2 BIOMARKERS OF AMINOPEPTIDASE INHIBITION CHROMA THERAPEUTICS LIMITED (GB) 2009-08-13 WO disclosed