SCHEMBL4055392

SCHEMBL4055392

O=C(CCCCCCC(=O)OC1=CCCCCCC1)OC1=CCCCCCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.36
KMT2A Q03164 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GSTP1 P09211 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
LMNA P02545 1/20 0.31
CTSK P43235 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
FFAR1 O14842 1/20 0.31
ALOX15 P16050 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
MGLL Q99685 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
SCHEMBL4049811 0.96 KMT2A (0.36) NAAAKMT2ASMN1; SMN2GSTP1HDAC4
SCHEMBL7566848 0.91 GSTP1 (0.36) KMT2ASMN1; SMN2GSTP1HDAC4HDAC2
SCHEMBL28240434 0.91 NAAA (0.46) NAAAKMT2ASMN1; SMN2LMNAMEN1
SCHEMBL20210651 0.90 ALDH1A1 (0.40) NAAAKMT2ASMN1; SMN2GSTP1HDAC4
SCHEMBL3775177 0.89 GSTP1 (0.37) KMT2ASMN1; SMN2GSTP1HDAC4HDAC2
SCHEMBL11801851 0.89 NAAA (0.44) NAAAKMT2ASMN1; SMN2LMNAMEN1
SCHEMBL20210464 0.88 ALDH1A1 (0.41) NAAAKMT2ASMN1; SMN2GSTP1HDAC4
SCHEMBL20210506 0.88 ALDH1A1 (0.38) NAAAKMT2ASMN1; SMN2GSTP1HDAC4
SCHEMBL4060589 0.87 KMT2A (0.33) KMT2ASMN1; SMN2GSTP1HDAC4HDAC2
SCHEMBL20210546 0.87 NAAA (0.38) NAAAKMT2ASMN1; SMN2GSTP1MEN1

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
CN-103140463-A Process for the oxidation of unsaturated organic compounds UNILEVER PLC 2013-06-05 CN disclosed
WO-2009109857-A1 METHOD FOR PRODUCING CARBOXYLIC ACIDS BY OXIDATIVE CLEAVAGE OF UNSATURATED COMPOUNDS UNIVERSITEIT LEIDEN (NL) 2009-09-11 WO disclosed