SCHEMBL8299579

SCHEMBL8299579

C[C@H]([C]=O)N(C1CCCCC1)S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADH1C P00326 2/20 0.40
ADH1A P07327 2/20 0.40
ADH1B P00325 1/20 0.40
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 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
SCHEMBL24429228 0.82 ADH1A (0.47) ADH1CADH1AADH1BMEN1KMT2A
SCHEMBL6205344 0.82 ADH1A (0.47) ADH1CADH1AADH1BMEN1KMT2A
SCHEMBL24568892 0.78 ADH1C (0.40) ADH1CADH1AADH1BMEN1KMT2A
SCHEMBL3957146 0.74 ADH1A (0.42) ADH1CADH1AADH1BALDH1A1
SCHEMBL6978884 0.72 ADH1A (0.41) ADH1CADH1AADH1BMEN1KMT2A
SCHEMBL15461406 0.71 ADH1B (0.32) ADH1CADH1AADH1BALDH1A1
SCHEMBL7511009 0.70 MEN1 (0.38) ADH1CADH1AADH1BMEN1KMT2A
SCHEMBL10639964 0.67 ADH1A (0.44) ADH1CADH1AADH1BMEN1KMT2A
SCHEMBL7862759 0.67 ADH1B (0.36) ADH1CADH1AADH1BALDH1A1KDM4E
SCHEMBL7765492 0.66 ADH1A (0.41) ADH1CADH1AADH1BMEN1KMT2A

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
EP-0931069-A1 PROCESS FOR PREPARING AMIDINES BASF AKTIENGESELLSCHAFT (DE) 1999-07-28 EP disclosed
WO-1998009950-A1 PROCESS FOR PREPARING AMIDINES BASF AKTIENGESELLSCHAFT (DE) 1998-03-12 WO disclosed