SCHEMBL11529348

SCHEMBL11529348

CCN(CC)C(=O)N(S)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 2/20 0.41
ADH1C P00326 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 1/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
TSHR P16473 1/20 0.34
XBP1 P17861 1/20 0.34
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL10778320 0.82 ADH1A (0.45) ADH1AADH1CL3MBTL1MEN1KMT2A
SCHEMBL11529363 0.77 ALDH1A1 (0.36) ADH1AADH1CMEN1KMT2AALDH1A1
SCHEMBL11531320 0.74 ADH1A (0.42) ADH1AADH1CL3MBTL1MEN1KMT2A
SCHEMBL5459487 0.73 SLC6A4 (0.40) ADH1AADH1CL3MBTL1NPSR1S1PR1
SCHEMBL5449617 0.73 SLC6A4 (0.40) ADH1AADH1CL3MBTL1NPSR1S1PR1
SCHEMBL6259261 0.73 ADH1A (0.38) ADH1AADH1CL3MBTL1NPSR1ALDH1A1
SCHEMBL11528739 0.72 L3MBTL1 (0.45) ADH1AADH1CL3MBTL1MEN1KMT2A
SCHEMBL11519507 0.70 ADH1A (0.35) ADH1AADH1CL3MBTL1MEN1KMT2A
SCHEMBL8944256 0.70 ALDH1A1 (0.36) ADH1AADH1CMEN1KMT2AALDH1A1
SCHEMBL3891941 0.69 OPRM1 (0.43) ADH1AADH1CL3MBTL1MEN1KMT2A

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-4156735-A SALIDIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1979-05-29 US disclosed
US-4118501-A SALIDIURETIC ACTIVITY HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed