SCHEMBL7361871

SCHEMBL7361871

O=[N+]([O-])C=Cc1ccccc1OCOCCCCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.49
TLR2 O60603 2/20 0.49
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
NPSR1 Q6W5P4 4/20 0.46
HPGD P15428 4/20 0.46
S1PR1 P21453 4/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
S1PR4 O95977 1/20 0.46
ITGA4 P13612 1/20 0.46
MAPK1 P28482 1/20 0.46
TLR9 Q9NR96 1/20 0.46
FBP1 P09467 1/20 0.40
FFAR1 O14842 1/20 0.40
PRMT1 Q99873 1/20 0.40
HTT P42858 2/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL7361868 1.00 TLR4 (0.49) TLR4TLR2MAPTALDH1A1NPSR1
SCHEMBL7355432 0.82 PRMT1 (0.62) TLR4TLR2MAPTALDH1A1NPSR1
SCHEMBL7355908 0.80 PRMT1 (0.62) TLR4TLR2MAPTALDH1A1NPSR1
SCHEMBL7355906 0.80 PRMT1 (0.62) TLR4TLR2MAPTALDH1A1NPSR1
SCHEMBL27947570 0.77 CCNB2 (0.63) TLR4TLR2MAPTALDH1A1NPSR1
SCHEMBL16499818 0.74 ALDH1A1 (0.60) TLR4TLR2MAPTALDH1A1NPSR1
SCHEMBL16499817 0.74 ALDH1A1 (0.60) TLR4TLR2MAPTALDH1A1NPSR1
SCHEMBL8002601 0.74 ALDH1A1 (0.64) TLR4TLR2MAPTALDH1A1NPSR1
SCHEMBL8239675 0.74 MEN1 (0.49) HPGDMEN1KMT2ACCNB2CDK1
SCHEMBL7353840 0.73 MAPT (0.63) TLR4TLR2MAPTALDH1A1NPSR1

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
EP-1060173-A2 BENZAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.p.A. (IT) 2000-12-20 EP disclosed
WO-1999032449-A2 BENZAZINE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 1999-07-01 WO disclosed