SCHEMBL9702877

SCHEMBL9702877

C=C(C)C(=O)OC(CCCC)C(=O)OC1CCCCN1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
LMNA P02545 1/20 0.38
GPR174 Q9BXC1 2/20 0.36
KMT2A Q03164 5/20 0.35
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.32
FKBP1A P62942 1/20 0.31

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 0.84 ALDH1A1 (0.41) ALDH1A1LMNAGPR174KMT2AMCOLN3
SCHEMBL9702869 0.78 ALDH1A1 (0.35) ALDH1A1LMNAGPR174KMT2AKDM4E
SCHEMBL15522549 0.69 KMT2A (0.55) ALDH1A1LMNAGPR174KMT2AMAPT
SCHEMBL15294334 0.66 KMT2A (0.39) ALDH1A1KMT2AMAPTKDM4ECYP1A2
SCHEMBL15294347 0.66 KMT2A (0.39) ALDH1A1KMT2AMAPTKDM4ECYP1A2
SCHEMBL8084718 0.65 SMN1; SMN2 (0.46) ALDH1A1LMNAKMT2AMAPTKDM4E
SCHEMBL15294369 0.65 MAPT (0.38) ALDH1A1KMT2AMAPTKDM4ECYP1A2
SCHEMBL7913532 0.65 SMN1; SMN2 (0.46) ALDH1A1LMNAKMT2AMAPTKDM4E
SCHEMBL29512633 0.64 MAPT (0.59) ALDH1A1GPR174KMT2AMAPTCYP1A2
SCHEMBL29512894 0.64 CUL4A (0.49) ALDH1A1LMNAKMT2AMCOLN3L3MBTL1

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