SCHEMBL7896834

SCHEMBL7896834

CCS(=O)(=O)N[C@H](C(=O)NCCc1ccc(OCC=CC(=O)OC)c(OC)c1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 3/20 0.48
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 2/20 0.42
MAPT P10636 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL7896831 1.00 SMN1; SMN2 (0.48) SMN1; SMN2LMNAALDH1A1KMT2AKDM4E
SCHEMBL6556802 0.88 MAPT (0.52) SMN1; SMN2LMNAALDH1A1KMT2AKDM4E
SCHEMBL6556797 0.88 MAPT (0.52) SMN1; SMN2LMNAALDH1A1KMT2AKDM4E
SCHEMBL6556803 0.88 MAPT (0.52) SMN1; SMN2LMNAALDH1A1KMT2AKDM4E
SCHEMBL6556876 0.86 KMT2A (0.47) SMN1; SMN2LMNAALDH1A1KMT2AKDM4E
SCHEMBL6556888 0.86 KMT2A (0.47) SMN1; SMN2LMNAALDH1A1KMT2AKDM4E
SCHEMBL6556885 0.86 KMT2A (0.47) SMN1; SMN2LMNAALDH1A1KMT2AKDM4E
SCHEMBL6554806 0.86 SMN1; SMN2 (0.46) SMN1; SMN2LMNAALDH1A1KMT2AMAPT
SCHEMBL6554796 0.86 SMN1; SMN2 (0.46) SMN1; SMN2LMNAALDH1A1KMT2AMAPT
SCHEMBL6554811 0.86 SMN1; SMN2 (0.46) SMN1; SMN2LMNAALDH1A1KMT2AMAPT

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-6194611-B1 FOR CONTROLLING OR PREVENTION OF PLANT INFESTATION BY PHYTOPATHOGENIC MICROORGANISMS, SUCH AS FUNGI NOVARTIS CROP PROTECTION, INC. 2001-02-27 US disclosed
EP-0858448-B1 N-SULPHONYL AND N-SULPHINYL AMINO ACID DERIVATIVES AS MICROBICIDES NOVARTIS AG (CH) 2000-05-31 EP disclosed