SCHEMBL9330282

SCHEMBL9330282

CCOC(=O)C(C)=CC=Cc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.46
FBP1 P09467 1/20 0.45
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 2/20 0.43
MAPT P10636 5/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL11778862 0.80 GLO1 (0.59) GLO1ALDH1A1KMT2AKDM4ENPSR1
SCHEMBL6639628 0.80 CYP1A2 (0.53) ALDH1A1KMT2AFBP1KDM4ECYP1A2
SCHEMBL6809200 0.80 CYP1A2 (0.53) ALDH1A1KMT2AFBP1KDM4ECYP1A2
SCHEMBL10377330 0.80 GLO1 (0.65) GLO1ALDH1A1KMT2AKDM4ENPSR1
SCHEMBL10377329 0.80 GLO1 (0.65) GLO1ALDH1A1KMT2AKDM4ENPSR1
SCHEMBL7900595 0.79 GLO1 (0.49) GLO1ALDH1A1KMT2AFBP1KDM4E
SCHEMBL7900591 0.79 GLO1 (0.49) GLO1ALDH1A1KMT2AFBP1KDM4E
SCHEMBL9329145 0.78 CYP1A2 (0.47) KMT2ACYP1A2CYP2D6NPSR1POLB
SCHEMBL9363003 0.77 GLO1 (0.52) GLO1ALDH1A1KMT2AKDM4EPOLB
SCHEMBL9388673 0.76 MAPT (0.49) ALDH1A1KMT2AFBP1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0300387-B1 Phenyl alkenylcarboxylic acids and their esters BASF AG (DE) 1994-03-23 EP disclosed
US-5123955-A Herbicides, chloro and tetrahydrophthalimido-substituted phenyl PLATH PETER (DE) 1992-06-23 US disclosed
US-4933001-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1990-06-12 US disclosed
EP-0300387-A2 Phenyl alkenylcarboxylic acids and their esters BASF Aktiengesellschaft (DE) 1989-01-25 EP disclosed