SCHEMBL9439427

SCHEMBL9439427

C=CC(CCCCNC(C)=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ FOLH1 Q04609 1/20 0.48
▸ ADRA1A P35348 1/20 0.46
▸ PAOX Q6QHF9 3/20 0.43
▸ SIRT5 Q9NXA8 2/20 0.39
▸ MTNR1A P48039 2/20 0.38
▸ MTNR1B P49286 2/20 0.38
▸ ZDHHC20 Q5W0Z9 1/20 0.36
▸ ZDHHC2 Q9UIJ5 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ DDAH1 O94760 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ ZDHHC7 Q9NXF8 1/20 0.34
▸ TGM2 P21980 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SIRT6 Q8N6T7 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33

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
SCHEMBL4452846 0.79 GPR84 (0.37) FOLH1ZDHHC20ZDHHC2TSHR
SCHEMBL1964357 0.76 BLM (0.44) TSHRALDH1A1
SCHEMBL715220 0.76 GPR84 (0.50) MAPK1ZDHHC20ZDHHC2ALDH1A1
SCHEMBL322755 0.74 GPR84 (0.53) ZDHHC20ZDHHC2ALDH1A1
SCHEMBL7555468 0.74 GPR84 (0.53) ZDHHC20ZDHHC2ALDH1A1
SCHEMBL324704 0.74 GPR84 (0.53) ZDHHC20ZDHHC2ALDH1A1
SCHEMBL12096982 0.74 BLM (0.42) ZDHHC20ZDHHC2ALDH1A1
SCHEMBL9509824 0.74 GPR84 (0.53) ZDHHC20ZDHHC2ALDH1A1
SCHEMBL322479 0.74 GPR84 (0.53) ZDHHC20ZDHHC2ALDH1A1
SCHEMBL322767 0.74 GPR84 (0.53) ZDHHC20ZDHHC2ALDH1A1

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
EP-0351603-B1 Transvinylation reaction UNION CARBIDE CORP (US) 1994-12-07 — — EP claimed
EP-0351603-A2 Transvinylation reaction UNION CARBIDE CORPORATION (US) 1990-01-24 — — EP claimed
EP-0506070-A2 Transvinylation process for the preparation of thermally labile vinyl compounds and vinyl compounds prepared from thermally labile acids UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1992-09-30 — — EP disclosed
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