SCHEMBL5694459

SCHEMBL5694459

CCCCCSc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
ALDH1A1 P00352 3/20 0.53
POLB P06746 1/20 0.53
KCNH2 Q12809 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
IDO1 P14902 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MGLL Q99685 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL11132387 0.98 MAPT (0.51) MAPTALDH1A1POLBKCNH2MEN1
SCHEMBL8973697 0.95 MAPT (0.54) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL10485355 0.90 MAPT (0.45) MAPTALDH1A1POLBKCNH2MEN1
SCHEMBL10401625 0.90 MAPT (0.52) MAPTALDH1A1POLBKCNH2MEN1
SCHEMBL10401626 0.90 MAPT (0.52) MAPTALDH1A1POLBKCNH2MEN1
SCHEMBL9570633 0.89 MAPT (0.58) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL8811170 0.87 MAPT (0.58) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL10485392 0.87 THRA (0.48) MAPTALDH1A1POLBKCNH2MEN1
SCHEMBL8746687 0.83 ALDH1A1 (0.64) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL9628611 0.83 CA2 (0.57) MAPTALDH1A1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056708-B2 Method of producing polyhydroxyalkanoate from alkane having residue containing aromatic ring in its molecule CANON KABUSHIKI KAISHA (JP) 2006-06-06 US disclosed
EP-1367078-B1 Method of producing polyhydroxyalkanoate from alkane having residue containing aromatic ring in its molecule CANON KK (JP) 2006-04-19 EP disclosed
EP-1367078-A2 Method of producing polyhydroxyalkanoate from alkane having residue containing aromatic ring in its molecule CANON KABUSHIKI KAISHA (JP) 2003-12-03 EP disclosed
US-20030207412-A1 Method of producing polyhydroxyalkanoate from alkane having residue containing aromatic ring in its molecule CANON KABUSHIKI KAISHA (JP) 2003-11-06 US disclosed