SCHEMBL16450752

SCHEMBL16450752

CNc1cccc(CNC(=O)CCCCC(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 1/20 0.54
EPHX2 P34913 4/20 0.54
NOS2 P35228 1/20 0.50
PTPN1 P18031 1/20 0.50
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
TRPV1 Q8NER1 1/20 0.47
FAAH O00519 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FOLH1 Q04609 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46

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
SCHEMBL11503362 0.82 MAPT (0.57) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL22600359 0.81 MAPT (0.60) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL694147 0.81 CYP1A2 (0.54) MEN1KMT2APTPN1SMN1; SMN2
SCHEMBL27909131 0.80 MEN1 (0.86) MEN1KMT2AGAAEPHX2TRPV1
SCHEMBL13206789 0.80 TPSAB1 (0.62) MEN1KMT2AGAAEPHX2NOS2
SCHEMBL13206791 0.80 TPSAB1 (0.62) MEN1KMT2AGAAEPHX2NOS2
SCHEMBL27621163 0.80 PTPN1 (0.48) EPHX2PTPN1SMN1; SMN2
SCHEMBL27909119 0.79 MEN1 (0.89) MEN1KMT2AGAAEPHX2TRPV1
SCHEMBL14254953 0.79 MEN1 (0.89) MEN1KMT2AGAAEPHX2TRPV1
SCHEMBL31390473 0.78 MEN1 (0.53) MEN1KMT2AEPHX2NOS2HDAC3

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
US-20180200980-A1 Hollow Plastic Object, Particularly Preform, Resp. Container, with a Polymer Barrier and Manufacturing Method Thereof RESILUX (BE) 2018-07-19 US disclosed
US-20150044574-A1 POLYMER ELECTROLYTE MEMBRANES FOR RECHARGEABLE BATTERIES THE UNIVERSITY OF AKRON 2015-02-12 US disclosed