SCHEMBL8078635

SCHEMBL8078635

CCCCCCCCCCCCCCCCCC(=O)NC(=O)OC(c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 6/20 0.45
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CTSL P07711 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL8082873 0.90 GAA (0.51) GAAHPGDKMT2AKDM4EMEN1
SCHEMBL8079881 0.78 KMT2A (0.53) GAAHPGDKMT2AKDM4EMEN1
SCHEMBL8079834 0.76 GAA (0.42) GAAHPGDKMT2AKDM4EMEN1
SCHEMBL8078574 0.76 GAA (0.41) GAAHPGDKMT2AKDM4EMEN1
SCHEMBL27889292 0.75 CTSL (0.47) GAAHPGDKMT2AKDM4EMEN1
SCHEMBL9056702 0.74 MGLL (0.51) GAAHPGDKMT2AMEN1ALDH1A1
SCHEMBL3619558 0.74 MGLL (0.51) GAAHPGDKMT2AMEN1ALDH1A1
SCHEMBL9770798 0.73 MEN1 (0.70) GAAHPGDKMT2AKDM4EMEN1
SCHEMBL10400228 0.73 RAB9A (0.67) GAAHPGDKMT2AKDM4EMEN1
SCHEMBL12813140 0.72 CYP1A2 (0.49) GAAHPGDKMT2AKDM4EMEN1

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-6087072-A Article having a light-controllable super-water-repellent surface and a printing machine using the article HITACHI, LTD. (JP) 2000-07-11 US disclosed
US-6027852-A Article having a light-controllable super-water-repellent surface and a printing machine using the article HITACHI, LTD. (JP) 2000-02-22 US disclosed