SCHEMBL8808086

SCHEMBL8808086

C#CCC(C(C)=O)C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MME P08473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30

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
SCHEMBL3476921 0.89 SMN1; SMN2 (0.37) ACHESMN1; SMN2MMECA1CA2
SCHEMBL28259670 0.85 MME (0.39) ACHESMN1; SMN2MMECA1CA2
SCHEMBL9186422 0.83 MME (0.36) SMN1; SMN2MMEALDH1A1CA1CA2
SCHEMBL435187 0.82 GRIK1 (0.35)
SCHEMBL9023602 0.82 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MGAMGAASI
SCHEMBL11215591 0.79 MGAM (0.35) ACHESMN1; SMN2MGAMGAASI
SCHEMBL25575102 0.78 GRIK1 (0.42)
SCHEMBL12818602 0.77 USP2 (0.42) ACHEALDH1A1CA1CA2
SCHEMBL7854706 0.76 CA1 (0.42) ACHESMN1; SMN2MMECA1CA2
SCHEMBL13751258 0.75 SMN1; SMN2 (0.40) SMN1; SMN2MMEALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0257102-B1 AGENTS FOR TREATING NEUROPHATHY MITSUI PETROCHEMICAL IND (JP) 1997-11-19 EP disclosed
EP-0799617-A2 Therapeutic agent for neurological diseases MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-10-08 EP disclosed
US-4959368-A PYRIMIDINE DERIVATIVES MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) 1990-09-25 US disclosed
EP-0257102-A1 AGENTS FOR TREATING NEUROPHATHY Mitsui Chemicals, Inc. (JP) 1988-03-02 EP disclosed