SCHEMBL9702869

SCHEMBL9702869

C=C(C)C(=O)OCCCCCC(=O)OC1CCCCN1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
GPR174 Q9BXC1 1/20 0.35
TDP1 Q9NUW8 3/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
DRD2 P14416 1/20 0.35
GSTP1 P09211 1/20 0.33
GSTM2 P28161 1/20 0.33
KMT2A Q03164 5/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM5 P41594 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
SCHEMBL9703576 0.85 ALDH1A1 (0.41) ALDH1A1LMNAGPR174TDP1POLB
SCHEMBL9702877 0.78 ALDH1A1 (0.38) ALDH1A1LMNAGPR174TDP1KDM4E
SCHEMBL15522549 0.68 KMT2A (0.55) ALDH1A1LMNAGPR174POLBHTT
SCHEMBL11025540 0.67 MAOB (0.46) ALDH1A1TDP1POLBAPEX1HTT
SCHEMBL8084718 0.66 SMN1; SMN2 (0.46) ALDH1A1LMNATDP1KDM4EKMT2A
SCHEMBL7913532 0.66 SMN1; SMN2 (0.46) ALDH1A1LMNAHTTKDM4EKMT2A
SCHEMBL11026108 0.65 TDP1 (0.42) ALDH1A1TDP1POLBAPEX1HTT
SCHEMBL11219249 0.64 TSHR (0.67) ALDH1A1TDP1POLBAPEX1HTT
SCHEMBL11230384 0.64 TSHR (0.67) ALDH1A1TDP1POLBAPEX1HTT
SCHEMBL14907540 0.64 TSHR (0.67) ALDH1A1TDP1POLBAPEX1HTT

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
US-5155793-A OPTICAL COMPONENT FOR APPLICATIONS IN INTEGRATED OPTICS THOMSON-CSF (FR) 1992-10-13 US disclosed
EP-0442796-A1 Optical component for applications in integrated optics THOMSON-CSF (FR) 1991-08-21 EP disclosed