SCHEMBL2928402

SCHEMBL2928402

C=C(C)[C@H](CCC(C)=O)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 7/20 0.48
LMNA P02545 1/20 0.41
SLC15A2 Q16348 1/20 0.41
ALDH1A1 P00352 2/20 0.36
BMP1 P13497 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.32
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31
GABRA4 P48169 2/20 0.31
GABRE P78334 2/20 0.31
GABRA6 Q16445 2/20 0.31
GABRG1 Q8N1C3 2/20 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
SCHEMBL18339364 1.00 FOLH1 (0.48) FOLH1LMNASLC15A2ALDH1A1BMP1
SCHEMBL12189679 0.89 FOLH1 (0.61) FOLH1BMP1GABRPGABRDGABRA1
SCHEMBL28753796 0.88 FOLH1 (0.48) FOLH1LMNASLC15A2BMP1SLC22A6
SCHEMBL13176826 0.88 FOLH1 (0.48) FOLH1LMNASLC15A2BMP1SLC22A6
SCHEMBL12993346 0.83 FOLH1 (0.71) FOLH1LMNASLC15A2TDP1
SCHEMBL3698857 0.83 FOLH1 (0.71) FOLH1LMNASLC15A2TDP1
SCHEMBL15305176 0.83 FOLH1 (0.71) FOLH1LMNASLC15A2TDP1
SCHEMBL5367974 0.82 FOLH1 (0.42) FOLH1LMNAALDH1A1SLC22A6TDP1
SCHEMBL8844774 0.82 FOLH1 (0.47) FOLH1LMNAALDH1A1SLC22A6
SCHEMBL28753824 0.78 ALDH1A1 (0.39) LMNASLC15A2ALDH1A1TDP1

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-115856310-A Acute cerebral infarction related metabolite and application thereof 朱妍 2023-03-28 CN disclosed
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed