SCHEMBL5693385

SCHEMBL5693385

C=C(CC(C)(C)CNC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 5/20 0.50
TET3 O43151 1/20 0.34
TET1 Q8NFU7 1/20 0.34
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.30
FFAR1 O14842 1/20 0.30
CPT2 P23786 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL346723 0.82 TET2 (0.62) TET2TET3TET1ALOX15HSD17B10
SCHEMBL5693450 0.80 TET2 (0.47) TET2TET3TET1ALOX15HSD17B10
Propane SCHEMBL10621167 0.78 TET2 (0.58) TET2TET3TET1ALOX15HSD17B10
SCHEMBL22812 0.77 TET2 (0.62) TET2TET3TET1ALOX15HSD17B10
SCHEMBL1469905 0.76 TET2 (0.56) TET2TET3TET1ALOX15HSD17B10
SCHEMBL3771386 0.76 TET2 (0.56) TET2TET3TET1ALOX15HSD17B10
SCHEMBL6864119 0.74 TET2 (0.54) TET2TET3TET1ALOX15HSD17B10
SCHEMBL5444612 0.74 KDM4E (0.58) TET2TET3TET1ALOX15HSD17B10
Hydrochloric Acid SCHEMBL28222917 0.73 TET2 (0.58) TET2TET3TET1ALOX15HSD17B10
SCHEMBL10076834 0.73 ALDH1A1 (0.30) KDM4EFFAR1CPT2TDP1

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