SCHEMBL17831007

SCHEMBL17831007

CCOC(=O)C(C)CNCCCCC(NCC(C)C(=O)OCC)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CPB2 Q96IY4 1/20 0.34
ACE P12821 1/20 0.32
CAD P27708 1/20 0.32
TSHR P16473 1/20 0.32
NOD1 Q9Y239 3/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL26529457 0.80 ANPEP (0.46) TSHR
SCHEMBL26529430 0.79 ACHE (0.40) KMT2APOLBTSHR
SCHEMBL11232368 0.77 CYP1A2 (0.42) POLBCPB2CAD
SCHEMBL26529454 0.75 GAA (0.44) KMT2APOLBL3MBTL1CAD
SCHEMBL11372828 0.74 CYP1A2 (0.40) KMT2ACPB2CAD
SCHEMBL16128693 0.73 KMT2A (0.49) KMT2APOLBL3MBTL1
SCHEMBL16097870 0.73 KMT2A (0.39) KMT2APOLBL3MBTL1NOD1
SCHEMBL11332462 0.73 ZDHHC7 (0.46) KMT2APOLBACETSHRNOD1
SCHEMBL26529043 0.71 GAA (0.41)
SCHEMBL15715750 0.71 DPP7 (0.42) KMT2APOLBL3MBTL1ACETSHR

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
US-20160168312-A1 ALLOPHANATE COMPOSITION VENCOREX FRANCE (FR) 2016-06-16 US disclosed
US-20160168312-A1 ALLOPHANATE COMPOSITION VENCOREX FRANCE (FR) 2016-06-16 US disclosed