SCHEMBL24200475

SCHEMBL24200475

CCNCCC(C)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALOX15 P16050 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HPGD P15428 1/20 0.33
SOAT1 P35610 1/20 0.33
METAP2 P50579 1/20 0.33

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
SCHEMBL24770936 0.86 CA1 (0.42) CYP2C19HSD17B10KMT2ASMN1; SMN2CA1
SCHEMBL15726352 0.82 TDP1 (0.41) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL19441166 0.82 GAA (0.39) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL14616914 0.80 ALDH1A1 (0.48) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL7876820 0.80 GAA (0.38) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL19241801 0.78 MGAM (0.37) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL4639637 0.77 GABRR1 (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13700412 0.77 GABRR1 (0.54) CYP2C19KMT2AMEN1
SCHEMBL7879761 0.77 GABRR1 (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8847925 0.77 CHRM1 (0.36) GAACYP3A4CYP2C19TRPM8KMT2A

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-3623366-B1 NOVEL PIPERIDINE-2,6-DIONE DERIVATIVE AND USE THEREOF KOREA RES INST CHEMICAL TECH (KR) 2022-01-19 EP disclosed