SCHEMBL2953115

SCHEMBL2953115

C=CC(=O)N/C(O)=C(\O)NC(=O)C=C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TSHR P16473 3/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.44
TGM2 P21980 8/20 0.41
FGFR4 P22455 1/20 0.35
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
F13A1 P00488 1/20 0.33
TGM1 P22735 1/20 0.33
TGM3 Q08188 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
PSMB11 A5LHX3 1/20 0.32
PSMA7 O14818 1/20 0.32
PSMB1 P20618 1/20 0.32
PSMA1 P25786 1/20 0.32
PSMA2 P25787 1/20 0.32
PSMA3 P25788 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
SCHEMBL639639 0.84
SCHEMBL26217 0.83
SCHEMBL7165464 0.83
Formaldehyde SCHEMBL16146046 0.80 TSHR (0.50) ALDH1A1TSHRMAPK1TDP1LMNA
Methane SCHEMBL9845065 0.80 TSHR (0.50) ALDH1A1TSHRMAPK1TDP1LMNA
SCHEMBL3284715 0.80 TSHR (0.50) ALDH1A1TSHRMAPK1TDP1LMNA
Ethylene SCHEMBL8621311 0.80 TSHR (0.50) ALDH1A1TSHRMAPK1TDP1LMNA
SCHEMBL10982455 0.79
SCHEMBL7750969 0.78 TSHR (0.48) ALDH1A1TSHRMAPK1TDP1LMNA
SCHEMBL8752402 0.78 TSHR (0.48) ALDH1A1TSHRMAPK1TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250044289-A1 MOLECULARLY IMPRINTED POLYMER COATINGS AND SENSORS FOR BIODETECTION ORCA HOLDINGS LLC (US) 2025-02-06 US disclosed
US-12188855-B2 Expansion microscopy methods and kits CARNEGIE MELLON UNIVERSITY (US) 2025-01-07 US disclosed
US-20230103369-A1 THE USE OF MOLECULARLY IMPRINTED POLYMERS FOR THE RAPID DETECTION OF EMERGING VIRAL OUTBREAKS ORCA HOLDINGS, LLC 2023-04-06 US disclosed
US-20210255072-A1 Improved Expansion Microscopy Methods and Kits NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-19 US disclosed
US-7759401-B2 Nanoporous and microporous solvogels and nanolatexes by microemulsion polymerization EASTERN MICHIGAN UNIVERSITY (US) 2010-07-20 US disclosed
US-20090176915-A1 NANOPOROUS AND MICROPOROUS SOLVOGELS AND NONOLATEXES BY MICROEMULSION POLYMERIZATION EASTERN MICHIGAN UNIVERSITY 2009-07-09 US disclosed