SCHEMBL2045779

SCHEMBL2045779

CC(C)c1cccc(C(C)C)c1.N=C=O.N=C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
KDM4E B2RXH2 2/20 0.50
TYR P14679 2/20 0.50
CA2 P00918 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ALOX12 P18054 2/20 0.50
HTT P42858 2/20 0.50
MDM4 O15151 1/20 0.50
CA1 P00915 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
CA5A P35218 1/20 0.50
MDM2 Q00987 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA9 Q16790 1/20 0.50
HDAC2 Q92769 1/20 0.50

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
SCHEMBL3358129 1.00 HDAC4 (0.50) HDAC4HDAC8KDM4ETYRCA2
Carbimide SCHEMBL23877346 0.90 HDAC4 (0.48) HDAC4HDAC8KDM4ETYRCA2
Carbimide SCHEMBL17255508 0.90 HDAC4 (0.48) HDAC4HDAC8KDM4ETYRCA2
SCHEMBL28753521 0.86 KDM4E (0.52) HDAC4HDAC8KDM4ETYRCA2
SCHEMBL659373 0.85 FABP3 (0.39) HDAC4HDAC8KDM4ETYRCA2
SCHEMBL374780 0.84 HDAC4 (0.56) HDAC4HDAC8KDM4ETYRCA2
Isopropylbenzene SCHEMBL1347599 0.83 CYP2C9 (0.41) HDAC4HDAC8KDM4ETYRCA2
Isopropylbenzene SCHEMBL133881 0.83 CYP2C9 (0.41) HDAC4HDAC8KDM4ETYRCA2
Water SCHEMBL9322811 0.82 HDAC4 (0.54) HDAC4HDAC8KDM4ETYRCA2
SCHEMBL19031518 0.82 KDM4E (0.54) HDAC4HDAC8KDM4ETYRCA2

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 120 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11884770-B2 Low viscosity poly(alkynyl carbamate) prepolymers THE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2024-01-30 US claimed
EP-4223821-A1 NOVEL EPOXY-URETHANE COMPOUNDS AND THEIR THERMOSETTING POLYMERS Covestro LLC (US) 2023-08-09 EP claimed
EP-4223822-A1 GLYCIDYL CARBAMATE RESINS AND THEIR THERMOSETTING POLYMERS Covestro LLC (US) 2023-08-09 EP claimed
EP-4223824-A1 NOVEL URETDIONE-CONTAINING EPOXY-URETHANE COMPOUNDS AND THEIR THERMOSETTING POLYMERS Covestro LLC (US) 2023-08-09 EP claimed
EP-4223823-A1 NOVEL POLYURETHANES HAVING PENDANT EPOXY GROUPS AND THERMOSETS THEREOF Covestro LLC (US) 2023-08-09 EP claimed
EP-4223819-A1 EPOXY-URETHANE COMPOUNDS AND THEIR THERMOSETTING POLYMERS Covestro LLC (US) 2023-08-09 EP claimed
EP-4223818-A1 EPOXY-URETHANE COMPOUNDS AND THEIR THERMOSETTING POLYMERS Covestro LLC (US) 2023-08-09 EP claimed
EP-4223825-A1 POLYURETHANE RESINS WITH EPOXY AND CYCLIC CARBONATE FUNCTIONAL GROUPS AND THEIR THERMOSETTING POLYMERS Covestro LLC (US) 2023-08-09 EP claimed
EP-4223820-A1 GLYCIDYL UREA COMPOUNDS AND THEIR THERMOSETTING POLYMERS Covestro LLC (US) 2023-08-09 EP claimed
EP-4223817-A1 LOW TEMPERATURE CURING EPOXY-URETHANE COMPOSITIONS Covestro LLC (US) 2023-08-09 EP claimed
US-11174334-B2 Allophanate carbamate azido-alkyne click compositions COVESTRO LLC (US) 2021-11-16 US claimed
US-20210155734-A1 AZIDO-ALKYNE CLICK COMPOSITIONS THE UNIVERSITY OF SOUTHERN MISSISSIPPI 2021-05-27 US claimed
US-20210155737-A1 AZIDO-ALKYNE CLICK AND OXYSILANE HYBRID COMPOSITIONS THE UNIVERSITY OF SOUTHERN MISSISSIPPI 2021-05-27 US claimed
US-20210155743-A1 LOW VISCOSITY POLY(ALKYNYL CARBAMATE) PREPOLYMERS THE UNIVERSITY OF SOUTHERN MISSISSIPPI 2021-05-27 US claimed
US-20210155735-A1 WATERBORNE AZIDO-ALKYNE CLICK COMPOSITIONS THE UNIVERSITY OF SOUTHERN MISSISSIPPI 2021-05-27 US claimed
US-20210155741-A1 POLYURETHANE POLYMERS CURED VIA AZIDO-ALKYNE CYCLOADDITION THE UNIVERSITY OF SOUTHERN MISSISSIPPI 2021-05-27 US claimed
US-20210155738-A1 ALLOPHANATE CARBAMATE AZIDO-ALKYNE CLICK COMPOSITIONS THE UNIVERSITY OF SOUTHERN MISSISSIPPI 2021-05-27 US claimed
US-20210155748-A1 POLYURETHANE POLYMERS CURED VIA AZIDO-ALKYNE CYCLOADDITION AT AMBIENT OR MILD CURING CONDITIONS THE UNIVERSITY OF SOUTHERN MISSISSIPPI 2021-05-27 US claimed
US-20210155742-A1 LOW VISCOSITY POLY(ALKYNYL CARBAMATE) POLYMERS THE UNIVERSITY OF SOUTHERN MISSISSIPPI 2021-05-27 US claimed
US-20210155824-A1 WATERBORNE AZIDO-ALKYNE CLICK COMPOSITIONS SOUTHERN MISSISSIPPI, THE UNIVERSITY OF 2021-05-27 US claimed