SCHEMBL2332499

SCHEMBL2332499

C=CCCC(C(=O)OC)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 4/20 0.33
PDF Q9HBH1 1/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MEN1 O00255 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CTSK P43235 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
DGAT1 O75907 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MAPT P10636 2/20 0.32
USP2 O75604 1/20 0.32
CYP3A4 P08684 1/20 0.32
RECQL P46063 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL2332493 1.00 LMNA (0.39) LMNAALDH1A1KMT2APDFCA12
SCHEMBL11066540 0.93 LMNA (0.35) LMNAALDH1A1KMT2APDFMEN1
SCHEMBL1646230 0.90 ALDH1A1 (0.34) LMNAALDH1A1KMT2ACA12CA14
SCHEMBL1646228 0.90 ALDH1A1 (0.34) LMNAALDH1A1KMT2ACA12CA14
SCHEMBL28126654 0.88 ALDH1A1 (0.47) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10965572 0.86 MEN1 (0.37) LMNAALDH1A1KMT2APDFMEN1
SCHEMBL28277872 0.83 TSHR (0.42) LMNAALDH1A1CA12CA14SMN1; SMN2
SCHEMBL20241539 0.83 CA12 (0.35) LMNAALDH1A1KMT2ACA12CA14
SCHEMBL806095 0.82 TSHR (0.33) LMNAALDH1A1PDFSMN1; SMN2MAPT
SCHEMBL6775939 0.80 LMNA (0.44) LMNAALDH1A1KMT2AMEN1SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167494-B1 3-AMINO-6-(1-AMINO-ETHYL)-TETRAHYDROPYRAN DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP disclosed