SCHEMBL16837367

SCHEMBL16837367

C=C1CCCCCN1C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MITF O75030 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.32
MAPK1 P28482 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
SCHEMBL20144010 1.00 NOTUM (0.41) NOTUMSMN1; SMN2TP53HRH3MITF
SCHEMBL13378227 0.91
SCHEMBL12009713 0.82
SCHEMBL22485710 0.79
SCHEMBL20242724 0.78 LMNA (0.33) SMN1; SMN2MITFLMNA
SCHEMBL8379280 0.77 SMN1; SMN2 (0.50) NOTUMSMN1; SMN2TP53MITFKDM4E
SCHEMBL15071000 0.77 SMN1; SMN2 (0.50) NOTUMSMN1; SMN2TP53MITFKDM4E
SCHEMBL18566 0.77 SMN1; SMN2 (0.50) NOTUMSMN1; SMN2TP53MITFKDM4E
SCHEMBL15061890 0.77 SMN1; SMN2 (0.50) NOTUMSMN1; SMN2TP53MITFKDM4E
SCHEMBL15061902 0.77 SMN1; SMN2 (0.50) NOTUMSMN1; SMN2TP53MITFKDM4E

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
US-9062153-B2 Compositions, preparation thereof and use thereof for production of cast polyamides RHEIN CHEMIE RHEINAU GMBH (DE) 2015-06-23 US disclosed