SCHEMBL776958

SCHEMBL776958

O=C(NC1=C(NC(=O)C2CCCCC2)CC=C1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 2/20 0.45
MAPK1 P28482 2/20 0.45
CETP P11597 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL776272 0.84 PTPN1 (0.45) PTPN1HPGDKMT2AMEN1TSHR
SCHEMBL28656982 0.69 PTPN1 (0.89) PTPN1HPGDKMT2AMEN1LMNA
SCHEMBL1946708 0.69 NPSR1 (0.72) PTPN1HPGDKMT2AMEN1TSHR
SCHEMBL125695 0.69 PTPN1 (0.89) PTPN1HPGDKMT2AMEN1LMNA
SCHEMBL23946044 0.68 PTPN1 (0.49) PTPN1HPGDKMT2AMEN1TSHR
SCHEMBL1948869 0.66 NPSR1 (0.75) PTPN1HPGDKMT2AMEN1LMNA
SCHEMBL28258088 0.66 CETP (0.77) PTPN1HPGDKMT2AMEN1TSHR
SCHEMBL28256535 0.66 CETP (0.77) PTPN1HPGDKMT2AMEN1TSHR
SCHEMBL12323604 0.66 CETP (0.77) PTPN1HPGDKMT2AMEN1TSHR
SCHEMBL2246735 0.66 MEN1 (0.96) PTPN1HPGDKMT2AMEN1LMNA

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-8673998-B2 Polymer compositions with improved cold flow BRIDGESTONE CORPORATION (JP) 2014-03-18 US disclosed
US-20120071583-A1 POLYMER COMPOSITIONS WITH IMPROVED COLD FLOW BRIDGESTONE CORPORATION (JP) 2012-03-22 US disclosed