SCHEMBL9066974

SCHEMBL9066974

O=[N+]([O-])c1cc(Cl)ccc1OCC1CO1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
S1PR4 O95977 1/20 0.49
GLA P06280 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
PDE7A Q13946 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 5/20 0.46
VCAM1 P19320 1/20 0.43
DRD4 P21917 2/20 0.43
FAAH O00519 2/20 0.42

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
SCHEMBL3701823 0.84 MAPT (0.51) KDM4EALDH1A1SMN1; SMN2KMT2AGLA
SCHEMBL30121999 0.84 MAPT (0.51) KDM4EALDH1A1SMN1; SMN2KMT2AGLA
SCHEMBL7168254 0.83 HSPB1 (0.45) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL23486753 0.83 ALDH1A1 (0.56) KDM4EALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL29758124 0.83 ALDH1A1 (0.56) KDM4EALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL6619951 0.81 VCAM1 (0.48) ALDH1A1SMN1; SMN2KMT2AGLACYP3A4
SCHEMBL4211458 0.80 NPC1 (0.60) KDM4EALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL4211452 0.80 NPC1 (0.60) KDM4EALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL3808783 0.80 NPC1 (0.60) KDM4EALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL7605624 0.78 LMNA (0.43) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0401722-B1 Use of blowing compositions DAIKIN IND LTD (JP) 1996-04-24 EP disclosed
US-5070113-A MINIMIZATION OF DEPLETION OF OZONE LAYER DAIKIN INDUSTRIES, LTD. (JP) 1991-12-03 US disclosed
EP-0401722-A1 Use of blowing compositions DAIKIN INDUSTRIES, LIMITED (JP) 1990-12-12 EP disclosed