SCHEMBL8972157

SCHEMBL8972157

CCOC(=O)CC(C)NC(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 3/20 0.40
ALOX15 P16050 3/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACACB O00763 1/20 0.39
CHRM1 P11229 1/20 0.39
ADORA1 P30542 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TRPA1 O75762 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
NLRP3 Q96P20 2/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL8972302 0.84 TSHR (0.40) MGAMGAASIMGAM2TSHR
SCHEMBL16367683 0.84 TSHR (0.40) MGAMGAASIMGAM2TSHR
SCHEMBL22246440 0.82 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1405629 0.82 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL13356642 0.82 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1747220 0.82 CYP1A2 (0.54) CYP2D6
SCHEMBL84186 0.82 CYP1A2 (0.54) CYP2D6
SCHEMBL31126951 0.81 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1912643 0.81 ALOX15 (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL14521536 0.81 MGAM (0.46) 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
US-5518903-A HYDROLYSIS OF ESTER CHISSO CORPORATION (JP) 1996-05-21 US disclosed