SCHEMBL11533596

SCHEMBL11533596

CC(C)(C)c1ccc(N2CCOCC2)c(NS(C)(=O)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
ALDH1A1 P00352 10/20 0.56
MCOLN3 Q8TDD5 1/20 0.56
KMT2A Q03164 1/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
BRD4 O60885 1/20 0.48
CREBBP Q92793 1/20 0.48
CECR2 Q9BXF3 1/20 0.48
BRD9 Q9H8M2 1/20 0.48
ALOX12 P18054 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL17083367 0.81 ALDH1A1 (0.48) LMNASMN1; SMN2ALDH1A1MCOLN3KMT2A
SCHEMBL11527671 0.80 ALDH1A1 (0.52) LMNASMN1; SMN2ALDH1A1MCOLN3KMT2A
SCHEMBL11530711 0.79 ALDH1A1 (0.79) LMNASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL11661328 0.78 ALDH1A1 (0.53) LMNASMN1; SMN2ALDH1A1MCOLN3KMT2A
SCHEMBL11529702 0.78 ALDH1A1 (0.62) LMNASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL20657481 0.77 TP53 (0.67) LMNASMN1; SMN2ALDH1A1MCOLN3KMT2A
SCHEMBL11526649 0.76 SMN1; SMN2 (0.67) LMNASMN1; SMN2ALDH1A1TP53MAPT
SCHEMBL11532541 0.76 ALDH1A1 (0.67) LMNASMN1; SMN2ALDH1A1MAPTALOX12
SCHEMBL11527987 0.76 ALDH1A1 (0.67) LMNASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL11525733 0.76 ALDH1A1 (0.60) LMNASMN1; SMN2ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4168151-A HERBICIDES UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1979-09-18 US disclosed
US-4153443-A HERBICIDES UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1979-05-08 US disclosed
US-4123251-A HERBICIDES UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1978-10-31 US disclosed