SCHEMBL13673141

SCHEMBL13673141

CCCC(C)(CC(=O)OC)NC(=O)Cc1c(Cl)cccc1OC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.41
HPGD P15428 1/20 0.40
LMNA P02545 3/20 0.40
THRB P10828 1/20 0.40
POLB P06746 1/20 0.39
ANO1 Q5XXA6 2/20 0.39
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PLA2G2A P14555 2/20 0.37

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
SCHEMBL4424929 0.83 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPK1HPGDLMNA
SCHEMBL4428390 0.83 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPK1HPGDLMNA
SCHEMBL6475271 0.78 SHMT1 (0.48) SMN1; SMN2ALDH1A1MAPK1HPGDLMNA
SCHEMBL6481421 0.78 THRB (0.46) SMN1; SMN2ALDH1A1MAPK1HPGDLMNA
SCHEMBL6475294 0.76 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPK1LMNATHRB
SCHEMBL6475063 0.76 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPK1HPGDLMNA
SCHEMBL4435090 0.75 LPAR1 (0.41) SMN1; SMN2ALDH1A1MAPK1HPGDLMNA
SCHEMBL4433288 0.75 TAS1R3 (0.42) SMN1; SMN2ALDH1A1MAPK1HPGDLMNA
SCHEMBL6473687 0.74 LPAR1 (0.42) SMN1; SMN2ALDH1A1MAPK1HPGDLMNA
SCHEMBL6344303 0.73 ALDH1A1 (0.55) ALDH1A1MAPK1HPGDLMNAPOLB

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-0741700-B1 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2009-10-07 EP disclosed