SCHEMBL18828587

SCHEMBL18828587

CCCC(C)C(C)CC(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 7/20 0.41
TRPA1 O75762 1/20 0.41
ALOX15 P16050 3/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.38
HSD17B10 Q99714 2/20 0.38
CHRM1 P11229 1/20 0.38
ADORA1 P30542 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
LMNA P02545 1/20 0.36
METAP1 P53582 1/20 0.35

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
SCHEMBL11318856 0.89 MGAM (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2549107 0.88 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL17469115 0.86 NAAA (0.35) ALDH1A1CYP3A4TSHRTDP1MAPT
SCHEMBL4632405 0.84 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6067665 0.83 L3MBTL1 (0.49) MGAMGAASIMGAM2ALDH1A1
SCHEMBL7952798 0.81 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5001444 0.81 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5081305 0.81 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL10289814 0.80 MGAM (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL18120823 0.80 MGAM (0.50) MGAMGAASIMGAM2ALDH1A1

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-2931708-B1 CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF DIVERCHIM (FR) 2017-05-10 EP disclosed