SCHEMBL6265235

SCHEMBL6265235

CCCc1cc(OC(=O)OCC)n(C)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
ALOX5 P09917 1/20 0.37
HTT P42858 1/20 0.37
CA2 P00918 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 2/20 0.34
GFER P55789 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CUL4A Q13619 2/20 0.33
SOAT1 P35610 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL6630242 0.90 POLB (0.36) POLBALOX5HTTCA2SMN1; SMN2
SCHEMBL7102276 0.85 ALOX5 (0.37) POLBALOX5HTTCA2GAA
SCHEMBL859 0.76 POLB (0.50) POLBSMN1; SMN2GAAALDH1A1LMNA
SCHEMBL6263848 0.73 ALOX5 (0.37) POLBALOX5SMN1; SMN2ALDH1A1LMNA
SCHEMBL27902151 0.70 SMYD3 (0.39) POLBSMN1; SMN2GAAALDH1A1LMNA
SCHEMBL6360335 0.70 POLB (0.42) POLBSMN1; SMN2LMNASOAT1TSHR
SCHEMBL6630708 0.69 ALOX5 (0.38) POLBALOX5CA2SMN1; SMN2ALDH1A1
SCHEMBL20503314 0.69 LMNA (0.44) POLBSMN1; SMN2LMNACYP4F2CYP4A11
SCHEMBL13995818 0.68 POLB (0.51) POLBGAAALDH1A1LMNAGFER
SCHEMBL9965045 0.68 BCHE (0.49) POLBHTTSMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1104406-B1 METHOD FOR PREPARING 1-ALKYL-PYRAZOL-5-CARBOXYLIC ACID ESTERS III LANXESS DEUTSCHLAND GMBH (DE) 2005-11-23 EP disclosed
EP-1091940-B1 METHOD FOR PREPARING 1-ALKYL-PYRAZOL-5-CARBOXYLIC ACID ESTERS BAYER AG (DE) 2003-09-10 EP disclosed
EP-0854142-B1 Process for the preparation of 1-alkylpyrazole-5-carboxylic esters BAYER AG (DE) 2002-09-18 EP disclosed
EP-1104406-A1 METHOD FOR PREPARING 1-ALKYL-PYRAZOL-5-CARBOXYLIC ACID ESTERS III Bayer Aktiengesellschaft (DE) 2001-06-06 EP disclosed
WO-2000010978-A1 METHOD FOR PREPARING 1-ALKYL-PYRAZOL-5-CARBOXYLIC ACID ESTERS III BAYER AKTIENGESELLSCHAFT (DE) 2000-03-02 WO disclosed
EP-0854142-A1 Process for the preparation of 1-alkylpyrazole-5-carboxylic esters BAYER AG (DE) 1998-07-22 EP disclosed