Sugi Predict

Sugi Predict / Compounds / SCHEMBL9860955

SCHEMBL9860955

SCHEMBL9860955

C=CC/C(C(=O)O)=C(\CC)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ FFAR3 O14843 1/20 0.35
▸ GRIK1 P39086 1/20 0.32
▸ GRIA4 P48058 1/20 0.32
▸ GRIK3 Q13003 1/20 0.32
▸ GRIK5 Q16478 1/20 0.32

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
SCHEMBL815175 0.87 LMNA (0.37) ALDH1A1TSHR
SCHEMBL3903875 0.87 LMNA (0.37) ALDH1A1TSHR
SCHEMBL815174 0.87 LMNA (0.37) ALDH1A1TSHR
SCHEMBL4987258 0.82 ALDH1A1 (0.36) ALDH1A1TSHRFFAR3GRIK1GRIA4
SCHEMBL8514554 0.82 ALDH1A1 (0.36) ALDH1A1TSHRFFAR3GRIK1GRIA4
SCHEMBL1489417 0.80 ALDH1A1 (0.34) ALDH1A1TSHRFFAR3GRIK1GRIA4
SCHEMBL9285451 0.80 ALDH1A1 (0.34) ALDH1A1TSHRFFAR3
Vinyl Chloride SCHEMBL9418741 0.80 ALDH1A1 (0.42) ALDH1A1TSHRFFAR3GRIK1GRIA4
Vinyl Chloride SCHEMBL6129199 0.80 ALDH1A1 (0.42) ALDH1A1TSHRFFAR3GRIK1GRIA4
Vinyl Chloride SCHEMBL11423821 0.80 ALDH1A1 (0.42) ALDH1A1TSHRFFAR3GRIK1GRIA4

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-0233299-B1 OPTICAL RESIN AND PROCESS FOR PREPARING THE SAME NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-03-13 — — EP claimed