SCHEMBL5031996

SCHEMBL5031996

O=C(O)NCCCCc1ccc(CCO)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.51
HPGD P15428 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
GLA P06280 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.47
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
HSP90AA1 P07900 1/20 0.46
POLB P06746 1/20 0.46
NLRP3 Q96P20 1/20 0.46

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
SCHEMBL25335375 0.88 TRPV1 (0.47) TRPV1HPGDL3MBTL1GLASMN1; SMN2
SCHEMBL5034532 0.86 L3MBTL1 (0.50) HPGDL3MBTL1SMN1; SMN2ALDH1A1PLAAT3
SCHEMBL4352379 0.85 TRPV1 (0.65) TRPV1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL2019835 0.85 TRPV1 (0.69) TRPV1HPGDL3MBTL1SMN1; SMN2LMNA
SCHEMBL893485 0.83 TRPV1 (0.72) TRPV1HPGDL3MBTL1SMN1; SMN2LMNA
SCHEMBL2024980 0.83 TRPV1 (0.72) TRPV1HPGDL3MBTL1SMN1; SMN2LMNA
SCHEMBL1936140 0.83 L3MBTL1 (0.53) HPGDL3MBTL1SMN1; SMN2TSHRKMT2A
SCHEMBL15861957 0.83 TRPV1 (0.72) TRPV1HPGDL3MBTL1SMN1; SMN2LMNA
SCHEMBL2021336 0.83 TRPV1 (0.72) TRPV1HPGDL3MBTL1SMN1; SMN2LMNA
SCHEMBL2021996 0.83 TRPV1 (0.72) TRPV1HPGDL3MBTL1SMN1; SMN2LMNA

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-1916239-A1 PYRIDONE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-30 EP disclosed