SCHEMBL7097815

SCHEMBL7097815

CCOC(=O)Oc1cc(C)nn1CC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
KMT2A Q03164 2/20 0.41
ALOX15 P16050 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 4/20 0.38
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 2/20 0.36
APAF1 O14727 1/20 0.36
PKM P14618 1/20 0.36
RECQL P46063 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL4692253 0.83 LMNA (0.46) MAPTKMT2AALOX15LMNAALDH1A1
SCHEMBL27815550 0.83 MAPT (0.43) MAPTKMT2AALOX15LMNAALDH1A1
SCHEMBL7102276 0.83 ALOX5 (0.37) MAPTKMT2ALMNAALDH1A1POLB
SCHEMBL28236023 0.82 MAPT (0.42) MAPTKMT2AALOX15LMNAALDH1A1
SCHEMBL22090221 0.82 MAPT (0.42) MAPTKMT2AALOX15LMNAALDH1A1
SCHEMBL11615915 0.78 KMT2A (0.52) MAPTKMT2AALOX15LMNAALDH1A1
SCHEMBL7098893 0.74 AURKA (0.40) KMT2ALMNAALDH1A1POLBKDM4E
SCHEMBL9510331 0.74 POLB (0.61) MAPTKMT2ALMNAALDH1A1POLB
SCHEMBL6188814 0.73 MAPT (0.52) MAPTKMT2ALMNAALDH1A1POLB
SCHEMBL28234394 0.71 ALDH1A1 (0.39) MAPTKMT2AALOX15LMNAALDH1A1

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-1091940-B1 METHOD FOR PREPARING 1-ALKYL-PYRAZOL-5-CARBOXYLIC ACID ESTERS BAYER AG (DE) 2003-09-10 EP disclosed