SCHEMBL3713615

SCHEMBL3713615

CCC([C]=O)NCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
ACP3 P15309 3/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MCL1 Q07820 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH7 P40394 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL7275121 0.85 SIGMAR1 (0.43) SIGMAR1ACP3POLBSMN1; SMN2MEN1
SCHEMBL7275120 0.85 SIGMAR1 (0.43) SIGMAR1ACP3POLBSMN1; SMN2MEN1
SCHEMBL6601690 0.82 SIGMAR1 (0.49) SIGMAR1ACP3POLBSMN1; SMN2MAPT
SCHEMBL6601685 0.82 SIGMAR1 (0.49) SIGMAR1ACP3POLBSMN1; SMN2MAPT
SCHEMBL24019759 0.81 SIGMAR1 (0.47) SIGMAR1POLBSMN1; SMN2KDM4ECYP3A4
SCHEMBL8399376 0.81 SIGMAR1 (0.43) SIGMAR1ACP3POLBSMN1; SMN2KDM4E
SCHEMBL8399378 0.79 GAA (0.44) SIGMAR1ACP3SMN1; SMN2MAPTMCL1
SCHEMBL7746605 0.77 SIGMAR1 (0.55) SIGMAR1ACP3POLBSMN1; SMN2KDM4E
SCHEMBL7346313 0.77 SIGMAR1 (0.55) SIGMAR1ACP3POLBSMN1; SMN2KDM4E
SCHEMBL11541322 0.76 SIGMAR1 (0.39) SIGMAR1ACP3POLBSMN1; SMN2MEN1

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
WO-2010106441-A2 PEPTIDOMIMETICS FOR MODULATING INTERLEUKIN-1 RECEPTOR CENTRE HOSPITALIER UNIVERSITAIRE SAINTE-JUSTINE (CA) 2010-09-23 WO disclosed