SCHEMBL11014131

SCHEMBL11014131

CCOC(=O)CNC([O])=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.59
MGAM O43451 1/20 0.56
SI P14410 1/20 0.56
MGAM2 Q2M2H8 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.47
PPID Q08752 2/20 0.47
ALDH1A1 P00352 6/20 0.46
TRPA1 O75762 1/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 1/20 0.45
PPIB P23284 1/20 0.45
PPIA P62937 1/20 0.45
PPIG Q13427 1/20 0.45
EPHX2 P34913 1/20 0.44
EGLN1 Q9GZT9 1/20 0.42
NLRP3 Q96P20 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL7089973 0.83 GAA (0.61) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL7946756 0.83 PPID (0.62) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL27434109 0.81 GAA (0.59) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL48270 0.81 GAA (0.59) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL2482646 0.81 GAA (0.59) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL9404556 0.79 GAA (0.57) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL4693345 0.79 GAA (0.57) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL3584747 0.79 GAA (0.68) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL5184954 0.79 GAA (0.68) GAAMGAMSIMGAM2SMN1; SMN2
Hydrochloric Acid SCHEMBL27762950 0.79 GAA (0.57) GAAMGAMSIMGAM2SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1021910-C LANKACIDIN DERIVATIVES AND PRODUCTION THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-08-25 CN disclosed
EP-0152129-A2 N-acyl amino acid derivatives, their preparation and their use as fungicides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1985-08-21 EP disclosed