SCHEMBL1419944

SCHEMBL1419944

CCCCCCCCCCCCCCCCCCCNNNNC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.47
HDAC1 Q13547 4/20 0.42
HDAC3 O15379 3/20 0.42
HDAC2 Q92769 3/20 0.42
CASP2 P42575 1/20 0.42
HDAC11 Q96DB2 6/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PPARG P37231 5/20 0.40
PPARD Q03181 5/20 0.40
PPARA Q07869 5/20 0.40
TSHR P16473 3/20 0.40
GPR84 Q9NQS5 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TLR2 O60603 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
FABP4 P15090 2/20 0.40
PTPN1 P18031 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40

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
SCHEMBL1419774 1.00 EPHX1 (0.47) EPHX1HDAC1HDAC3HDAC2CASP2
SCHEMBL1419594 1.00 EPHX1 (0.47) EPHX1HDAC1HDAC3HDAC2CASP2
SCHEMBL1419635 1.00 EPHX1 (0.47) EPHX1HDAC1HDAC3HDAC2CASP2
SCHEMBL1419777 1.00 EPHX1 (0.47) EPHX1HDAC1HDAC3HDAC2CASP2
SCHEMBL15540147 1.00 EPHX1 (0.47) EPHX1HDAC1HDAC3HDAC2CASP2
SCHEMBL3793778 1.00 EPHX1 (0.47) EPHX1HDAC1HDAC3HDAC2CASP2
SCHEMBL25410196 1.00 EPHX1 (0.47) EPHX1HDAC1HDAC3HDAC2CASP2
SCHEMBL1419942 1.00 EPHX1 (0.47) EPHX1HDAC1HDAC3HDAC2CASP2
SCHEMBL1419860 1.00 EPHX1 (0.47) EPHX1HDAC1HDAC3HDAC2CASP2
SCHEMBL1276938 1.00 EPHX1 (0.47) EPHX1HDAC1HDAC3HDAC2CASP2

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
EP-2296711-A2 MULTI-ARM AMINES AND USES THEREOF MDRNA, Inc. (US) 2011-03-23 EP claimed
WO-2009148955-A2 MULTI-ARM AMINES AND USES THEREOF MDRNA, INC (US) 2009-12-10 WO claimed