SCHEMBL5693540

SCHEMBL5693540

C=C(C)C(=O)NCC(C)(C)CN

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2D6 P10635 1/20 0.35
FPR3 P25089 3/20 0.33
FPR2 P25090 3/20 0.33
TGFBR1 P36897 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL13862890 0.87 SMN1; SMN2 (0.45) KDM4ESMN1; SMN2HSD17B10TGFBR1TDP1
SCHEMBL20216160 0.82 SMN1; SMN2 (0.37) SMN1; SMN2HSD17B10TGFBR1
SCHEMBL183583 0.82 TGFBR1 (0.37) SMN1; SMN2HSD17B10TGFBR1
SCHEMBL5693436 0.80 SMN1; SMN2 (0.40) KDM4ESMN1; SMN2HSD17B10TGFBR1
SCHEMBL15153924 0.79 KDM4E (0.40) KDM4ESMN1; SMN2HSD17B10CYP2D6FPR3
SCHEMBL21172271 0.79 KDM4E (0.45) KDM4ESMN1; SMN2HSD17B10CYP2D6FPR3
SCHEMBL819336 0.79 TDP1 (0.35) SMN1; SMN2HSD17B10TGFBR1TDP1
SCHEMBL3232710 0.79 TGFBR1 (0.36) KDM4ESMN1; SMN2HSD17B10TGFBR1TDP1
SCHEMBL13463180 0.79 KDM4E (0.43) KDM4ESMN1; SMN2HSD17B10CYP2D6FPR3
SCHEMBL19176636 0.78 SMN1; SMN2 (0.35) SMN1; SMN2HSD17B10TGFBR1TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487882-B1 BASE POLYMER OBTAINED BY HYDROGENATION STOCKHAUSEN CHEM FAB GMBH (DE) 2006-05-24 EP disclosed
US-20050215756-A1 Basic polymer obtained by hydrogenation STOCKHAUSEN GMBH (DE) 2005-09-29 US disclosed
EP-1487882-A1 BASE POLYMER OBTAINED BY HYDROGENATION Stockhausen GmbH (DE) 2004-12-22 EP disclosed
WO-2003080682-A1 BASE POLYMER OBTAINED BY HYDROGENATION STOCKHAUSEN GMBH (DE) 2003-10-02 WO disclosed