SCHEMBL9166257

SCHEMBL9166257

CC(C)CC(=NO)C(N)=O.CCOC(=O)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SI P14410 1/20 0.40
▸ MGAM2 Q2M2H8 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ TRPA1 O75762 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
Malonic Acid SCHEMBL9026618 0.84 LDHA (0.35) ALDH1A1
SCHEMBL9164429 0.75 CTBP2 (0.49) —
Butane SCHEMBL9159515 0.73 — —
Acetamide SCHEMBL27868109 0.73 GAA (0.61) MGAMGAASIMGAM2ALDH1A1
SCHEMBL15376 0.73 — —
SCHEMBL30741390 0.73 GAA (0.74) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28637253 0.72 APOBEC3A (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11097044 0.71 GAA (0.70) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3201235 0.71 GAA (0.70) MGAMGAASIMGAM2ALDH1A1
Ammonia Solution, Strong SCHEMBL8767262 0.71 GAA (0.70) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5459142-A Autoimmune disease, atherosclerosis, antiischemic agents and nephritis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-10-17 — — US disclosed
EP-0511879-B1 Pyrazine derivatives OTSUKA PHARMA CO LTD (JP) 1995-03-22 — — EP disclosed
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 — — EP disclosed
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