SCHEMBL253126

SCHEMBL253126

C=CCNC(=O)C(=C)C=C=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 6/20 0.34
FAAH O00519 1/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 3/20 0.33
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL28386814 0.79 TSHR (0.46) TSHRSMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL10698134 0.77
SCHEMBL4952777 0.75 TSHR (0.56) TSHRSMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL30285305 0.72 TSHR (0.41) TSHRSMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL29424 0.72
SCHEMBL16613180 0.71 TSHR (0.43) TSHRSMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL10818039 0.71 TSHR (0.39) TSHRSMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL30604 0.70
SCHEMBL5708695 0.70
SCHEMBL170795 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593257-B2 Functionalized metal-containing particles and methods of making the same MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2017-03-14 US disclosed
US-20140315025-A1 FUNCTIONALIZED METAL-CONTAINING PARTICLES AND METHODS OF MAKING THE SAME MOMENTIVE PERFORMANCE MATERIALS INC. 2014-10-23 US disclosed
US-8088252-B2 Salt-sensitive cationic polymeric binders for nonwoven webs and method of making the same CELANESE INTERNATIONAL CORPORATION 2012-01-03 US disclosed
US-7989545-B2 Salt-sensitive binders for nonwoven webs and method of making same Celanese International Corporations (US) 2011-08-02 US disclosed
US-20110146927-A1 Method of making salt-sensitive binders and nonwoven webs PROFOUND MEDICAL INC. (CA) 2011-06-23 US disclosed
EP-2272880-A1 Salt-sensitive binders for nonwoven webs and method of making same Celanese International Corporation (US) 2011-01-12 EP disclosed
US-20070173594-A1 Salt-sensitive binders for nonwoven webs and method of making same CELANESE INTERNATIONAL CORPORATION 2007-07-26 US disclosed